CID 188958

3-hydroxy-2-oxobutanoic acid

Structural Information

Molecular Formula
C4H6O4
SMILES
CC(C(=O)C(=O)O)O
InChI
InChI=1S/C4H6O4/c1-2(5)3(6)4(7)8/h2,5H,1H3,(H,7,8)
InChIKey
QWZIITCYKKSZGN-UHFFFAOYSA-N
Compound name
3-hydroxy-2-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

233
Patents

118.02661 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.033886 120.1
[M+Na]+ 141.015828 127.2
[M-H]- 117.019334 118.1
[M+NH4]+ 136.060433 140.9
[M+K]+ 156.989768 127.7
[M+H-H2O]+ 101.023870 116.3
[M+HCOO]- 163.024811 139.9
[M+CH3COO]- 177.040461 164.7
[M+Na-2H]- 139.001276 123.5
[M]+ 118.02606142 119.3
[M]- 118.02715858 119.3
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