CID 23005017

578026-68-3

Structural Information

Molecular Formula

C₁₄H₁₃NO₂

SMILES

C1=CC(=CC=C1CN)C2=CC=C(C=C2)C(=O)O

InChI

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

InChIKey

DHPXOOZAUQHRKS-UHFFFAOYSA-N

Compound name

4-[4-(aminomethyl)phenyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 27
Patents: 227.09464 Da
Monoisotopic Mass: 0.1
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

literature stripe

Patent stripe

patents stripe