CID 9543045

(2e,4z)-2-hydroxy-6-oxoocta-2,4,7-trienoate

Structural Information

Molecular Formula
C8H8O4
SMILES
C=CC(=O)/C=C\C=C(/C(=O)O)\O
InChI
InChI=1S/C8H8O4/c1-2-6(9)4-3-5-7(10)8(11)12/h2-5,10H,1H2,(H,11,12)/b4-3-,7-5+
InChIKey
BJIODCHLKBGSCT-QVXLNCAUSA-N
Compound name
(2E,4Z)-2-hydroxy-6-oxoocta-2,4,7-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

168.04225 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04953 137.2
[M+Na]+ 191.03147 144.5
[M+NH4]+ 186.07607 141.4
[M+K]+ 207.00541 141.8
[M-H]- 167.03497 132.6
[M+Na-2H]- 189.01692 136.9
[M]+ 168.04170 136.2
[M]- 168.04280 136.2
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.