CID 40578931

Kn7bk5ffy6

Structural Information

Molecular Formula
C5H8O3
SMILES
C[C@H](C(=O)C)C(=O)O
InChI
InChI=1S/C5H8O3/c1-3(4(2)6)5(7)8/h3H,1-2H3,(H,7,8)/t3-/m1/s1
InChIKey
GCXJINGJZAOJHR-GSVOUGTGSA-N
Compound name
(2R)-2-methyl-3-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

32
References

3294
Patents

116.04734 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.054616 121.0
[M+Na]+ 139.036558 128.2
[M-H]- 115.040064 120.4
[M+NH4]+ 134.081163 142.8
[M+K]+ 155.010498 128.9
[M+H-H2O]+ 99.044600 117.1
[M+HCOO]- 161.045541 141.8
[M+CH3COO]- 175.061191 168.2
[M+Na-2H]- 137.022006 124.5
[M]+ 116.04679142 121.0
[M]- 116.04788858 121.0
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

No patent data available for this compound.