CID 11170931

2-methoxypropane-1,3-diol

Structural Information

Molecular Formula

C₄H₁₀O₃

SMILES

COC(CO)CO

InChI

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

InChIKey

RKOGJKGQMPZCGG-UHFFFAOYSA-N

Compound name

2-methoxypropane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1198
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]+	107.070272	120.4
[M+Na]+	129.052214	127.3
[M-H]-	105.055720	118.2
[M+NH4]+	124.096819	142.1
[M+K]+	145.026154	127.7
[M+H-H2O]+	89.060256	116.5
[M+HCOO]-	151.061197	141.6
[M+CH3COO]-	165.076847	162.6
[M+Na-2H]-	127.037662	126.2
[M]+	106.06244742	120.8
[M]-	106.06354458	120.8

Literature stripe

literature stripe

Patent stripe

patents stripe