CID 21919

Acetylpyruvate

Structural Information

Molecular Formula
C5H6O4
SMILES
CC(=O)CC(=O)C(=O)O
InChI
InChI=1S/C5H6O4/c1-3(6)2-4(7)5(8)9/h2H2,1H3,(H,8,9)
InChIKey
UNRQTHVKJQUDDF-UHFFFAOYSA-N
Compound name
2,4-dioxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

61
References

7138
Patents

130.02661 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.03389 124.6
[M+Na]+ 153.01583 133.0
[M+NH4]+ 148.06043 130.3
[M+K]+ 168.98977 130.9
[M-H]- 129.01933 121.2
[M+Na-2H]- 151.00128 126.0
[M]+ 130.02606 124.3
[M]- 130.02716 124.3
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