CID 11963036

4-hydroxy-2-oxobutanoic acid

Structural Information

Molecular Formula
C4H6O4
SMILES
C(CO)C(=O)C(=O)O
InChI
InChI=1S/C4H6O4/c5-2-1-3(6)4(7)8/h5H,1-2H2,(H,7,8)
InChIKey
PUWWONYMIXRVQF-UHFFFAOYSA-N
Compound name
4-hydroxy-2-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

436
Patents

118.02661 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.03389 120.2
[M+Na]+ 141.01583 127.4
[M-H]- 117.01933 118.1
[M+NH4]+ 136.06043 141.0
[M+K]+ 156.98977 127.4
[M+H-H2O]+ 101.02387 116.2
[M+HCOO]- 163.02481 141.0
[M+CH3COO]- 177.04046 163.7
[M+Na-2H]- 139.00128 124.8
[M]+ 118.02606 120.0
[M]- 118.02716 120.0
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

patents stripe