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

28
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 122.2
[M+Na]+ 153.01583 129.8
[M-H]- 129.01933 121.4
[M+NH4]+ 148.06043 143.3
[M+K]+ 168.98977 129.8
[M+H-H2O]+ 113.02387 118.0
[M+HCOO]- 175.02481 144.4
[M+CH3COO]- 189.04046 168.4
[M+Na-2H]- 151.00128 126.9
[M]+ 130.02606 123.6
[M]- 130.02716 123.6
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