CID 5280494

3-maleylpyruvic acid

Structural Information

Molecular Formula
C7H6O6
SMILES
C(C(=O)/C=C\C(=O)O)C(=O)C(=O)O
InChI
InChI=1S/C7H6O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h1-2H,3H2,(H,10,11)(H,12,13)/b2-1-
InChIKey
AZCFLHZUFANAOR-UPHRSURJSA-N
Compound name
(Z)-4,6-dioxohept-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

60
Patents

186.01643 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.02371 134.0
[M+Na]+ 209.00565 140.3
[M-H]- 185.00915 131.5
[M+NH4]+ 204.05025 151.6
[M+K]+ 224.97959 139.9
[M+H-H2O]+ 169.01369 129.4
[M+HCOO]- 231.01463 152.9
[M+CH3COO]- 245.03028 175.8
[M+Na-2H]- 206.99110 134.8
[M]+ 186.01588 134.4
[M]- 186.01698 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.