Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	52445
Common Name:	2-methoxyethanol
Systematic Name:	2-methoxyethanol
RefMet Name:	2-Methoxyethanol
Synonyms:	1-hydroxy-2-methoxyethane; 2-hydroxyethyl methyl ether; 2-methoxy-1-ethanol; 3-oxa-1-butanol; HOCH2CH2OCH3; Methyl cellosolve; beta-methoxyethanol; methyl oxitol; monomethyl ethylene glycol ether [PubChem Synonyms]
Exact Mass:	76.0524 (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:	C3H8O2
InChIKey:	XNWFRZJHXBZDAG-UHFFFAOYSA-N
ClassyFire superclass:	Organic oxygen compounds [C0004603]
ClassyFire class:	Organooxygen compounds [C0000323]
ClassyFire subclass:	Ethers [C0000254]
ClassyFire direct parent:	Dialkyl ethers [C0001167]
MoNA MS spectra:	View MS spectra
SMILES:	COCCO
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	8019
CHEBI ID:	46790
HMDB ID:	HMDB0245203
MetaCyc ID:	2-METHOXYETHANOL

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