CID 263848

3-(2-ethoxyphenyl)-2-propenoic acid

Structural Information

Molecular Formula
C11H12O3
SMILES
CCOC1=CC=CC=C1C=CC(=O)O
InChI
InChI=1S/C11H12O3/c1-2-14-10-6-4-3-5-9(10)7-8-11(12)13/h3-8H,2H2,1H3,(H,12,13)
InChIKey
UXTDCJJEJZCEBF-UHFFFAOYSA-N
Compound name
3-(2-ethoxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

192
Patents

192.07864 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 141.6
[M+Na]+ 215.06786 153.4
[M+NH4]+ 210.11246 148.8
[M+K]+ 231.04180 147.5
[M-H]- 191.07136 142.3
[M+Na-2H]- 213.05331 147.1
[M]+ 192.07809 143.3
[M]- 192.07919 143.3
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