Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	67521
Common Name:	TETRAMETHYLAMMONIUM CHLORIDE
Systematic Name:	tetramethylammonium;chloride
RefMet Name:	Tetramethylammonium chloride
Synonyms:	Tetramine chloride; Tetramethyl ammonium chloride; USAF AN-8; N,N,N-Trimethylmethanaminium chloride [PubChem Synonyms]
Exact Mass:	109.0658 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C4H12ClN
InChIKey:	OKIZCWYLBDKLSU-UHFFFAOYSA-M
ClassyFire superclass:	Organic nitrogen compounds
ClassyFire class:	Organonitrogen compounds
ClassyFire subclass:	Quaternary ammonium salts
ClassyFire direct parent:	Tetraalkylammonium salts
Massbank MS spectra:	View MS spectra
SMILES:	C[N+](C)(C)C.[Cl-]
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	6379
CHEBI ID:	7070
KEGG ID:	C11335
EPA CompTox DB:	DTXCID4028042

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y
NPClassifier classification: "NPClassifier: A Deep Neural Network-Based Structural Classification Tool for Natural Products", Kim HW, Wang M, Leber CA, Nothias LF, Reher R, Kang KB, van der Hooft JJJ, Dorrestein PC, Gerwick WH and Cottrell GW. J Nat Prod. 2021 Nov 26;84(11):2795-2807.DOI: 10.1021/acs.jnatprod.1c00399.