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

16
Patents

234.0892 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09648 152.5
[M+Na]+ 257.07842 163.8
[M+NH4]+ 252.12302 158.5
[M+K]+ 273.05236 158.1
[M-H]- 233.08192 152.3
[M+Na-2H]- 255.06387 156.6
[M]+ 234.08865 153.7
[M]- 234.08975 153.7
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

patents stripe