CID 89028911

1315051-78-5

Structural Information

Molecular Formula
C6H12O3
SMILES
C[C@@H](C(=O)O)C(C)(C)O
InChI
InChI=1S/C6H12O3/c1-4(5(7)8)6(2,3)9/h4,9H,1-3H3,(H,7,8)/t4-/m0/s1
InChIKey
FKMQLWUMYSBWQE-BYPYZUCNSA-N
Compound name
(2R)-3-hydroxy-2,3-dimethylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

132.07864 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.08592 127.3
[M+Na]+ 155.06786 133.9
[M-H]- 131.07136 125.2
[M+NH4]+ 150.11246 147.9
[M+K]+ 171.04180 134.0
[M+H-H2O]+ 115.07590 123.9
[M+HCOO]- 177.07684 145.5
[M+CH3COO]- 191.09249 168.9
[M+Na-2H]- 153.05331 131.6
[M]+ 132.07809 126.6
[M]- 132.07919 126.6
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