CID 704218

4-ethoxycinnamic acid

Structural Information

Molecular Formula
C11H12O3
SMILES
CCOC1=CC=C(C=C1)/C=C/C(=O)O
InChI
InChI=1S/C11H12O3/c1-2-14-10-6-3-9(4-7-10)5-8-11(12)13/h3-8H,2H2,1H3,(H,12,13)/b8-5+
InChIKey
DZLOUWYGNATKKZ-VMPITWQZSA-N
Compound name
(E)-3-(4-ethoxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

231
Patents

192.07864 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.085916 140.5
[M+Na]+ 215.067858 147.9
[M-H]- 191.071364 142.8
[M+NH4]+ 210.112463 159.4
[M+K]+ 231.041798 145.4
[M+H-H2O]+ 175.075900 134.8
[M+HCOO]- 237.076841 163.0
[M+CH3COO]- 251.092491 180.3
[M+Na-2H]- 213.053306 145.3
[M]+ 192.07809142 141.9
[M]- 192.07918858 141.9
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

patents stripe