CID 102515255

(2e,4z,5e)-2-hydroxy-7-oxo-(2-oxoethylidene)hepta-2,5-dienoate

Structural Information

Molecular Formula
C9H8O5
SMILES
C(=C/C(=C\C(=O)C(=O)O)/C=C\O)\C=O
InChI
InChI=1S/C9H8O5/c10-4-1-2-7(3-5-11)6-8(12)9(13)14/h1-6,11H,(H,13,14)/b2-1+,5-3-,7-6+
InChIKey
OOJPRIIRFMTBCJ-IFPLXXCISA-N
Compound name
(3E,5E)-4-[(Z)-2-hydroxyethenyl]-2,7-dioxohepta-3,5-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

196.03717 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04445 143.5
[M+Na]+ 219.02639 150.2
[M+NH4]+ 214.07099 146.7
[M+K]+ 235.00033 147.7
[M-H]- 195.02989 138.1
[M+Na-2H]- 217.01184 142.4
[M]+ 196.03662 142.0
[M]- 196.03772 142.0
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.