CID 439381

2-hydroxy-3,3-dimethyl-4-oxobutanoic acid

Structural Information

Molecular Formula
C6H10O4
SMILES
CC(C)(C=O)C(C(=O)O)O
InChI
InChI=1S/C6H10O4/c1-6(2,3-7)4(8)5(9)10/h3-4,8H,1-2H3,(H,9,10)
InChIKey
HVMPYIKTQSOMHA-UHFFFAOYSA-N
Compound name
2-hydroxy-3,3-dimethyl-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

146.0579 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06518 128.4
[M+Na]+ 169.04712 135.3
[M-H]- 145.05062 126.3
[M+NH4]+ 164.09172 148.3
[M+K]+ 185.02106 135.3
[M+H-H2O]+ 129.05516 124.9
[M+HCOO]- 191.05610 147.0
[M+CH3COO]- 205.07175 170.1
[M+Na-2H]- 167.03257 132.9
[M]+ 146.05735 128.5
[M]- 146.05845 128.5
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