CID 2782322

3-ethoxycinnamic acid

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

CCOC1=CC=CC(=C1)C=CC(=O)O

InChI

InChI=1S/C11H12O3/c1-2-14-10-5-3-4-9(8-10)6-7-11(12)13/h3-8H,2H2,1H3,(H,12,13)

InChIKey

DOEYODSOYOGJQH-UHFFFAOYSA-N

Compound name

3-(3-ethoxyphenyl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 192.07864 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe