CID 12431731

2,2-dimethyl-3-oxobutanoic acid sodium salt

Structural Information

Molecular Formula
C6H10O3
SMILES
CC(=O)C(C)(C)C(=O)O
InChI
InChI=1S/C6H10O3/c1-4(7)6(2,3)5(8)9/h1-3H3,(H,8,9)
InChIKey
CBZZWRQRPKSEQI-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

215
Patents

130.06299 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.07027 126.3
[M+Na]+ 153.05221 135.0
[M+NH4]+ 148.09681 132.6
[M+K]+ 169.02615 132.7
[M-H]- 129.05571 123.3
[M+Na-2H]- 151.03766 128.4
[M]+ 130.06244 126.3
[M]- 130.06354 126.3
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