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 134.3
[M+Na]+ 191.03147 140.8
[M-H]- 167.03497 131.8
[M+NH4]+ 186.07607 153.1
[M+K]+ 207.00541 138.4
[M+H-H2O]+ 151.03951 130.0
[M+HCOO]- 213.04045 153.5
[M+CH3COO]- 227.05610 172.7
[M+Na-2H]- 189.01692 135.7
[M]+ 168.04170 132.7
[M]- 168.04280 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.