CID 92822

3-methoxy-1,2-propanediol

Structural Information

Molecular Formula

C₄H₁₀O₃

SMILES

COCC(CO)O

InChI

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

InChIKey

PSJBSUHYCGQTHZ-UHFFFAOYSA-N

Compound name

3-methoxypropane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 24
References: 3808
Patents: 106.062996 Da
Monoisotopic Mass: -1.2
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	119.4
[M+Na]+	129.05221	128.5
[M+NH4]+	124.09682	126.5
[M+K]+	145.02615	125.0
[M-H]-	105.05572	117.2
[M+Na-2H]-	127.03766	122.1
[M]+	106.06245	119.7
[M]-	106.06354	119.7

Literature stripe

literature stripe

Patent stripe

patents stripe