CID 68114

2-phenylacrylic acid

Structural Information

Molecular Formula

C₉H₈O₂

SMILES

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

InChI

InChI=1S/C9H8O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-6H,1H2,(H,10,11)

InChIKey

ONPJWQSDZCGSQM-UHFFFAOYSA-N

Compound name

2-phenylprop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 13994
Patents: 148.05243 Da
Monoisotopic Mass: 2.0
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]+	149.05971	130.0
[M+Na]+	171.04165	141.9
[M+NH4]+	166.08625	138.0
[M+K]+	187.01559	136.6
[M-H]-	147.04515	131.0
[M+Na-2H]-	169.02710	136.4
[M]+	148.05188	131.8
[M]-	148.05298	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe