CID 7131018

(2e)-3-(2-ethyl-1-benzofuran-3-yl)acrylic acid

Structural Information

Molecular Formula
C13H12O3
SMILES
CCC1=C(C2=CC=CC=C2O1)/C=C/C(=O)O
InChI
InChI=1S/C13H12O3/c1-2-11-10(7-8-13(14)15)9-5-3-4-6-12(9)16-11/h3-8H,2H2,1H3,(H,14,15)/b8-7+
InChIKey
FQMDNBOMVIMWDA-BQYQJAHWSA-N
Compound name
(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

216.07864 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08592 145.7
[M+Na]+ 239.06786 158.7
[M+NH4]+ 234.11246 153.6
[M+K]+ 255.04180 154.5
[M-H]- 215.07136 148.2
[M+Na-2H]- 237.05331 150.5
[M]+ 216.07809 148.2
[M]- 216.07919 148.2
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

No patent data available for this compound.