CID 542381

2,2-dimethoxyethanol

Structural Information

Molecular Formula

C₄H₁₀O₃

SMILES

COC(CO)OC

InChI

InChI=1S/C4H10O3/c1-6-4(3-5)7-2/h4-5H,3H2,1-2H3

InChIKey

NYPNCQTUZYWFGG-UHFFFAOYSA-N

Compound name

2,2-dimethoxyethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 858
Patents: 106.062996 Da
Monoisotopic Mass: -0.6
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]+	107.07027	119.5
[M+Na]+	129.05221	126.9
[M-H]-	105.05572	118.7
[M+NH4]+	124.09682	141.9
[M+K]+	145.02615	128.1
[M+H-H2O]+	89.060256	115.4
[M+HCOO]-	151.06120	142.2
[M+CH3COO]-	165.07685	165.2
[M+Na-2H]-	127.03766	125.9
[M]+	106.06245	121.8
[M]-	106.06354	121.8

Literature stripe

literature stripe

Patent stripe

patents stripe