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

74
Patents

120.07864 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.085916 123.7
[M+Na]+ 143.067858 131.4
[M-H]- 119.071364 123.1
[M+NH4]+ 138.112463 145.8
[M+K]+ 159.041798 132.3
[M+H-H2O]+ 103.075900 120.1
[M+HCOO]- 165.076841 145.6
[M+CH3COO]- 179.092491 167.7
[M+Na-2H]- 141.053306 131.6
[M]+ 120.07809142 126.7
[M]- 120.07918858 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