Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	56218
Common Name:	Iodomethane
Systematic Name:	iodomethane
Synonyms:	CH3I; Iodmethan; Jod-methan; MeI; Methyliodid; Methyljodid; Monoiodmethan; iodomethane; methyl iodide; monoiodomethane [PubChem Synonyms]
Exact Mass:	141.9279 (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:	CH3I
InChIKey:	INQOMBQAUSQDDS-UHFFFAOYSA-N
ClassyFire superclass:	Organohalogen compounds
ClassyFire class:	Alkyl halides
ClassyFire subclass:	Halomethanes
ClassyFire direct parent:	Halomethanes
Massbank MS spectra:	View MS spectra
SMILES:	CI
Studies:	Available studies(via PubChem CID)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	6328
CHEBI ID:	39282
HMDB ID:	HMDB0253530
MetaCyc ID:	CPD-7676
Plant Metabolite Hub(Pmhub):	MS000026584

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