CID 19793911

4-hydroxy-3-oxobutanoic acid

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

2
References

77
Patents

118.02661 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.03389 121.4
[M+Na]+ 141.01583 129.8
[M+NH4]+ 136.06043 127.3
[M+K]+ 156.98977 127.5
[M-H]- 117.01933 118.0
[M+Na-2H]- 139.00128 122.9
[M]+ 118.02606 121.0
[M]- 118.02716 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

patents stripe