Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	201150
Common Name:	m-Cumenyl methylcarbamate
Systematic Name:	(3-isopropylphenyl) N-methylcarbamate
RefMet Name:	m-Cumenyl methylcarbamate
Synonyms:	[PubChem Synonyms]
Exact Mass:	193.1103 (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:	C11H15NO2
InChIKey:	GYKXQTKSWLAUIT-UHFFFAOYSA-N
ClassyFire superclass:	Benzenoids
ClassyFire class:	Benzene and substituted derivatives
ClassyFire subclass:	Phenyl methylcarbamates
ClassyFire direct parent:	Phenyl methylcarbamates
SMILES:	CC(C)c1cccc(c1)OC(=O)NC
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	6143
Chemspider ID:	5913
EPA CompTox DB:	DTXCID9020324

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