CID 89028911

(2r)-3-hydroxy-2,3-dimethylbutanoic acid

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]+ 133.085916 127.3
[M+Na]+ 155.067858 133.9
[M-H]- 131.071364 125.2
[M+NH4]+ 150.112463 147.9
[M+K]+ 171.041798 134.0
[M+H-H2O]+ 115.075900 123.9
[M+HCOO]- 177.076841 145.5
[M+CH3COO]- 191.092491 168.9
[M+Na-2H]- 153.053306 131.6
[M]+ 132.07809142 126.6
[M]- 132.07918858 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