CID 12486323

2,3-dimethoxypropan-1-ol

Structural Information

Molecular Formula

C₅H₁₂O₃

SMILES

COCC(CO)OC

InChI

InChI=1S/C5H12O3/c1-7-4-5(3-6)8-2/h5-6H,3-4H2,1-2H3

InChIKey

RXDAPJJFRLSRPX-UHFFFAOYSA-N

Compound name

2,3-dimethoxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1061
Patents: 120.07864 Da
Monoisotopic Mass: -0.7
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]+	121.08592	123.3
[M+Na]+	143.06786	132.8
[M+NH4]+	138.11246	130.7
[M+K]+	159.04180	128.8
[M-H]-	119.07136	121.7
[M+Na-2H]-	141.05331	126.4
[M]+	120.07809	123.9
[M]-	120.07919	123.9

Literature stripe

literature stripe

Patent stripe

patents stripe