CID 20099721

192323-70-9

Structural Information

Molecular Formula

C₁₄H₁₃NO₂

SMILES

CC1=CC=C(C=C1)C2=CC(=C(C=C2)N)C(=O)O

InChI

InChI=1S/C14H13NO2/c1-9-2-4-10(5-3-9)11-6-7-13(15)12(8-11)14(16)17/h2-8H,15H2,1H3,(H,16,17)

InChIKey

SURZAQVAAPZGFF-UHFFFAOYSA-N

Compound name

2-amino-5-(4-methylphenyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 227.09464 Da
Monoisotopic Mass: 3.4
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	150.0
[M+Na]+	250.083858	158.1
[M-H]-	226.087364	155.7
[M+NH4]+	245.128463	167.1
[M+K]+	266.057798	154.0
[M+H-H2O]+	210.091900	143.2
[M+HCOO]-	272.092841	173.0
[M+CH3COO]-	286.108491	191.4
[M+Na-2H]-	248.069306	153.6
[M]+	227.09409142	148.3
[M]-	227.09518858	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe