CID 8019

2-methoxyethanol

Structural Information

Molecular Formula

C₃H₈O₂

SMILES

COCCO

InChI

InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3

InChIKey

XNWFRZJHXBZDAG-UHFFFAOYSA-N

Compound name

2-methoxyethanol

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 400
References: 94483
Patents: 76.05243 Da
Monoisotopic Mass: -0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	77.059706	111.5
[M+Na]+	99.041648	119.6
[M-H]-	75.045154	110.9
[M+NH4]+	94.086253	135.3
[M+K]+	115.01559	120.3
[M+H-H2O]+	59.049690	107.9
[M+HCOO]-	121.05063	135.3
[M+CH3COO]-	135.06628	159.4
[M+Na-2H]-	97.027096	119.8
[M]+	76.051881	112.7
[M]-	76.052979	112.7

Literature stripe

literature stripe

Patent stripe

patents stripe