CID 119412

4,5-dioxopentanoate

Structural Information

Molecular Formula
C5H6O4
SMILES
C(CC(=O)O)C(=O)C=O
InChI
InChI=1S/C5H6O4/c6-3-4(7)1-2-5(8)9/h3H,1-2H2,(H,8,9)
InChIKey
YHUFRVYVNKGICT-UHFFFAOYSA-N
Compound name
4,5-dioxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

34
References

18
Patents

130.02661 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.03389 124.6
[M+Na]+ 153.01583 133.3
[M+NH4]+ 148.06043 130.4
[M+K]+ 168.98977 130.4
[M-H]- 129.01933 121.4
[M+Na-2H]- 151.00128 126.4
[M]+ 130.02606 124.4
[M]- 130.02716 124.4
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