CID 5385200

(2e,4e)-5-(3,4-dimethoxyphenyl)penta-2,4-dienoic acid

Structural Information

Molecular Formula
C13H14O4
SMILES
COC1=C(C=C(C=C1)/C=C/C=C/C(=O)O)OC
InChI
InChI=1S/C13H14O4/c1-16-11-8-7-10(9-12(11)17-2)5-3-4-6-13(14)15/h3-9H,1-2H3,(H,14,15)/b5-3+,6-4+
InChIKey
JRKSVIUQRJEQDF-GGWOSOGESA-N
Compound name
(2E,4E)-5-(3,4-dimethoxyphenyl)penta-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

234.0892 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.096476 150.6
[M+Na]+ 257.078418 158.3
[M-H]- 233.081924 153.0
[M+NH4]+ 252.123023 168.1
[M+K]+ 273.052358 155.4
[M+H-H2O]+ 217.086460 144.6
[M+HCOO]- 279.087401 172.9
[M+CH3COO]- 293.103051 188.2
[M+Na-2H]- 255.063866 153.7
[M]+ 234.08865142 153.8
[M]- 234.08974858 153.8
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

patents stripe