CID 1394202

886363-12-8

Structural Information

Molecular Formula

C₁₄H₁₃NO₂

SMILES

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

InChI

InChI=1S/C14H13NO2/c15-13-3-1-2-12(9-13)11-6-4-10(5-7-11)8-14(16)17/h1-7,9H,8,15H2,(H,16,17)

InChIKey

NAAHKTGYIYVJMX-UHFFFAOYSA-N

Compound name

2-[4-(3-aminophenyl)phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.09464 Da
Monoisotopic Mass: 2.3
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]+	228.10192	151.1
[M+Na]+	250.08386	164.5
[M+NH4]+	245.12846	159.3
[M+K]+	266.05780	157.8
[M-H]-	226.08736	155.5
[M+Na-2H]-	248.06931	159.7
[M]+	227.09409	154.2
[M]-	227.09519	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe