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

227
Patents

118.02661 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.03389 120.1
[M+Na]+ 141.01583 127.2
[M-H]- 117.01933 118.1
[M+NH4]+ 136.06043 140.9
[M+K]+ 156.98977 127.7
[M+H-H2O]+ 101.02387 116.3
[M+HCOO]- 163.02481 139.9
[M+CH3COO]- 177.04046 164.7
[M+Na-2H]- 139.00128 123.5
[M]+ 118.02606 119.3
[M]- 118.02716 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