CID 554378

1,1-dimethoxypropan-2-ol

Structural Information

Molecular Formula

C₅H₁₂O₃

SMILES

CC(C(OC)OC)O

InChI

InChI=1S/C5H12O3/c1-4(6)5(7-2)8-3/h4-6H,1-3H3

InChIKey

PRAYXKGWSGUXQK-UHFFFAOYSA-N

Compound name

1,1-dimethoxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 159
Patents: 120.07864 Da
Monoisotopic Mass: -0.2
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]+	121.08592	123.6
[M+Na]+	143.06786	132.7
[M+NH4]+	138.11246	130.8
[M+K]+	159.04180	129.5
[M-H]-	119.07136	121.8
[M+Na-2H]-	141.05331	126.3
[M]+	120.07809	124.0
[M]-	120.07919	124.0

Literature stripe

literature stripe

Patent stripe

patents stripe