CID 9543024

Fumarylpyruvate

Structural Information

Molecular Formula
C7H6O6
SMILES
C(=C/C(=O)O)\C(=O)C=C(C(=O)O)O
InChI
InChI=1S/C7H6O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h1-3,9H,(H,10,11)(H,12,13)/b2-1+,5-3?
InChIKey
BDELIVZMHJIBBD-BJUUGVFESA-N
Compound name
(5E)-2-hydroxy-4-oxohepta-2,5-dienedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

186.01643 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.02371 138.5
[M+Na]+ 209.00565 144.2
[M+NH4]+ 204.05025 141.2
[M+K]+ 224.97959 144.0
[M-H]- 185.00915 132.1
[M+Na-2H]- 206.99110 136.6
[M]+ 186.01588 136.5
[M]- 186.01698 136.5
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.