CID 101087010

(2z,4e)-4-hydroxy-6-oxo-2,4-octadienedioic acid

Structural Information

Molecular Formula
C8H8O6
SMILES
C(C(=O)/C=C(\C=C/C(=O)O)/O)C(=O)O
InChI
InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-3,9H,4H2,(H,11,12)(H,13,14)/b2-1-,5-3+
InChIKey
XBRPTASPFXQXPJ-REDYYMJGSA-N
Compound name
(2Z,4E)-4-hydroxy-6-oxoocta-2,4-dienedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

200.03209 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03937 142.7
[M+Na]+ 223.02131 148.2
[M+NH4]+ 218.06591 145.3
[M+K]+ 238.99525 147.8
[M-H]- 199.02481 136.3
[M+Na-2H]- 221.00676 140.6
[M]+ 200.03154 140.7
[M]- 200.03264 140.7
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.