CID 107211

2-hydroxy-3,3-dimethylbutanoic acid

Structural Information

Molecular Formula
C6H12O3
SMILES
CC(C)(C)C(C(=O)O)O
InChI
InChI=1S/C6H12O3/c1-6(2,3)4(7)5(8)9/h4,7H,1-3H3,(H,8,9)
InChIKey
FWVNWTNCNWRCOU-UHFFFAOYSA-N
Compound name
2-hydroxy-3,3-dimethylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1795
Patents

132.07864 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.08592 127.5
[M+Na]+ 155.06786 134.2
[M-H]- 131.07136 125.4
[M+NH4]+ 150.11246 148.2
[M+K]+ 171.04180 134.3
[M+H-H2O]+ 115.07590 124.1
[M+HCOO]- 177.07684 145.7
[M+CH3COO]- 191.09249 168.2
[M+Na-2H]- 153.05331 131.8
[M]+ 132.07809 126.7
[M]- 132.07919 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

literature stripe

Patent stripe

patents stripe