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
4
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]+ 117.05462 121.0
[M+Na]+ 139.03656 128.2
[M-H]- 115.04006 120.4
[M+NH4]+ 134.08116 142.8
[M+K]+ 155.01050 128.9
[M+H-H2O]+ 99.044600 117.1
[M+HCOO]- 161.04554 141.8
[M+CH3COO]- 175.06119 168.2
[M+Na-2H]- 137.02201 124.5
[M]+ 116.04679 121.0
[M]- 116.04789 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.