CID 124

4-hydroxy-2-oxopentanoic acid

Structural Information

Molecular Formula
C5H8O4
SMILES
CC(CC(=O)C(=O)O)O
InChI
InChI=1S/C5H8O4/c1-3(6)2-4(7)5(8)9/h3,6H,2H2,1H3,(H,8,9)
InChIKey
HFKQINMYQUXOCH-UHFFFAOYSA-N
Compound name
4-hydroxy-2-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

27
References

431
Patents

132.04225 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.04953 125.9
[M+Na]+ 155.03147 133.7
[M+NH4]+ 150.07607 131.5
[M+K]+ 171.00541 132.0
[M-H]- 131.03497 122.2
[M+Na-2H]- 153.01692 126.8
[M]+ 132.04170 125.4
[M]- 132.04280 125.4
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