CID 97739

4314-68-5

Structural Information

Molecular Formula

C₁₆H₁₆O₃

SMILES

COC1=CC=C(C=C1)CC(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H16O3/c1-19-14-9-7-12(8-10-14)11-15(16(17)18)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,17,18)

InChIKey

GIROORGDVPRQFZ-UHFFFAOYSA-N

Compound name

3-(4-methoxyphenyl)-2-phenylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 76
Patents: 256.10995 Da
Monoisotopic Mass: 3.3
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]+	257.11723	158.8
[M+Na]+	279.09917	172.2
[M+NH4]+	274.14377	166.6
[M+K]+	295.07311	165.5
[M-H]-	255.10267	162.3
[M+Na-2H]-	277.08462	167.1
[M]+	256.10940	161.7
[M]-	256.11050	161.7

Literature stripe

literature stripe

Patent stripe

patents stripe