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]+ 169.049526 134.3
[M+Na]+ 191.031468 140.8
[M-H]- 167.034974 131.8
[M+NH4]+ 186.076073 153.1
[M+K]+ 207.005408 138.4
[M+H-H2O]+ 151.039510 130.0
[M+HCOO]- 213.040451 153.5
[M+CH3COO]- 227.056101 172.7
[M+Na-2H]- 189.016916 135.7
[M]+ 168.04170142 132.7
[M]- 168.04279858 132.7
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.