CID 15958361

2,5-hexadienoic acid, 2,6-dihydroxy-6-(2-methoxyphenyl)-4-oxo-, methyl ester, (2z,5z)-

Structural Information

Molecular Formula
C14H14O6
SMILES
COC1=CC=CC=C1/C(=C/C(=O)/C=C(/C(=O)OC)\O)/O
InChI
InChI=1S/C14H14O6/c1-19-13-6-4-3-5-10(13)11(16)7-9(15)8-12(17)14(18)20-2/h3-8,16-17H,1-2H3/b11-7-,12-8-
InChIKey
UQWSSOBMGXYYND-OXAWKVHCSA-N
Compound name
methyl (2Z,5Z)-2,6-dihydroxy-6-(2-methoxyphenyl)-4-oxohexa-2,5-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

278.07904 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.08632 160.5
[M+Na]+ 301.06826 165.7
[M-H]- 277.07176 161.1
[M+NH4]+ 296.11286 174.7
[M+K]+ 317.04220 164.0
[M+H-H2O]+ 261.07630 154.3
[M+HCOO]- 323.07724 178.6
[M+CH3COO]- 337.09289 193.2
[M+Na-2H]- 299.05371 159.8
[M]+ 278.07849 162.0
[M]- 278.07959 162.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.