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

237
Patents

120.07864 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.08592 124.4
[M+Na]+ 143.06786 131.2
[M-H]- 119.07136 123.6
[M+NH4]+ 138.11246 146.3
[M+K]+ 159.04180 132.6
[M+H-H2O]+ 103.07590 120.2
[M+HCOO]- 165.07684 145.8
[M+CH3COO]- 179.09249 169.1
[M+Na-2H]- 141.05331 129.0
[M]+ 120.07809 126.5
[M]- 120.07919 126.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe