CID 14053117

(e,e)-feruperate

Structural Information

Molecular Formula
C12H12O4
SMILES
COC1=C(C=CC(=C1)/C=C/C=C/C(=O)O)O
InChI
InChI=1S/C12H12O4/c1-16-11-8-9(6-7-10(11)13)4-2-3-5-12(14)15/h2-8,13H,1H3,(H,14,15)/b4-2+,5-3+
InChIKey
PZTHQMWVDHEWPY-ZUVMSYQZSA-N
Compound name
(2E,4E)-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

220.07356 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08084 146.8
[M+Na]+ 243.06278 154.5
[M-H]- 219.06628 147.9
[M+NH4]+ 238.10738 164.1
[M+K]+ 259.03672 150.9
[M+H-H2O]+ 203.07082 141.2
[M+HCOO]- 265.07176 167.9
[M+CH3COO]- 279.08741 182.7
[M+Na-2H]- 241.04823 149.9
[M]+ 220.07301 147.7
[M]- 220.07411 147.7
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.