CID 11499208

2,2-dimethoxypropan-1-ol

Structural Information

Molecular Formula
C5H12O3
SMILES
CC(CO)(OC)OC
InChI
InChI=1S/C5H12O3/c1-5(4-6,7-2)8-3/h6H,4H2,1-3H3
InChIKey
IOOUWNQSMXVTRP-UHFFFAOYSA-N
Compound name
2,2-dimethoxypropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

120.07864 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.08592 123.7
[M+Na]+ 143.06786 131.4
[M-H]- 119.07136 123.1
[M+NH4]+ 138.11246 145.8
[M+K]+ 159.04180 132.3
[M+H-H2O]+ 103.07590 120.1
[M+HCOO]- 165.07684 145.6
[M+CH3COO]- 179.09249 167.7
[M+Na-2H]- 141.05331 131.6
[M]+ 120.07809 126.7
[M]- 120.07919 126.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe