CID 15291161

155616-87-8

Structural Information

Molecular Formula

C₁₄H₁₃NO₂

SMILES

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

InChI

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

InChIKey

BUNIQRODCAAAQY-UHFFFAOYSA-N

Compound name

2-[4-(aminomethyl)phenyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 227.09464 Da
Monoisotopic Mass: -0.5
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]+	228.101916	150.2
[M+Na]+	250.083858	157.3
[M-H]-	226.087364	155.4
[M+NH4]+	245.128463	166.9
[M+K]+	266.057798	153.2
[M+H-H2O]+	210.091900	143.1
[M+HCOO]-	272.092841	173.1
[M+CH3COO]-	286.108491	190.2
[M+Na-2H]-	248.069306	154.5
[M]+	227.09409142	148.0
[M]-	227.09518858	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe