CID 171855190

Chebi:231720

Structural Information

Molecular Formula
C7H12O3
SMILES
C[C@H](C(C)C)C(=O)C(=O)O
InChI
InChI=1S/C7H12O3/c1-4(2)5(3)6(8)7(9)10/h4-5H,1-3H3,(H,9,10)/t5-/m1/s1
InChIKey
LJVGNAAEAOXGRU-RXMQYKEDSA-N
Compound name
(3R)-3,4-dimethyl-2-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.07864 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 131.3
[M+Na]+ 167.06786 139.4
[M+NH4]+ 162.11246 137.4
[M+K]+ 183.04180 137.2
[M-H]- 143.07136 128.4
[M+Na-2H]- 165.05331 132.4
[M]+ 144.07809 131.2
[M]- 144.07919 131.2
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

No patent data available for this compound.