CID 78548

4835-90-9

Structural Information

Molecular Formula
C5H10O3
SMILES
CC(C)(CO)C(=O)O
InChI
InChI=1S/C5H10O3/c1-5(2,3-6)4(7)8/h6H,3H2,1-2H3,(H,7,8)
InChIKey
RDFQSFOGKVZWKF-UHFFFAOYSA-N
Compound name
3-hydroxy-2,2-dimethylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

19765
Patents

118.062996 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.070272 123.0
[M+Na]+ 141.052214 130.3
[M-H]- 117.055720 121.0
[M+NH4]+ 136.096819 144.3
[M+K]+ 157.026154 130.1
[M+H-H2O]+ 101.060256 119.7
[M+HCOO]- 163.061197 142.5
[M+CH3COO]- 177.076847 165.0
[M+Na-2H]- 139.037662 129.0
[M]+ 118.06244742 122.6
[M]- 118.06354458 122.6
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