CID 5280669

3-(2-carboxylatoethenyl)-cis,cis-muconate(3-)

Structural Information

Molecular Formula
C9H8O6
SMILES
C(=C\C(=O)O)\C(=CC(=O)O)/C=C\C(=O)O
InChI
InChI=1S/C9H8O6/c10-7(11)3-1-6(5-9(14)15)2-4-8(12)13/h1-5H,(H,10,11)(H,12,13)(H,14,15)/b3-1-,4-2-
InChIKey
WKDXBDTUVVLFQV-CCAGOZQPSA-N
Compound name
(2Z,5Z)-4-(carboxymethylidene)hepta-2,5-dienedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.03209 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03937 146.4
[M+Na]+ 235.02131 151.7
[M+NH4]+ 230.06591 148.5
[M+K]+ 250.99525 151.0
[M-H]- 211.02481 139.6
[M+Na-2H]- 233.00676 143.9
[M]+ 212.03154 144.2
[M]- 212.03264 144.2
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.