CID 214103

27696-24-8

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₂

SMILES

C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC=C2N

InChI

InChI=1S/C13H12N2O2/c14-10-6-2-4-8-12(10)15-11-7-3-1-5-9(11)13(16)17/h1-8,15H,14H2,(H,16,17)

InChIKey

IVGNITNPTLTGIT-UHFFFAOYSA-N

Compound name

2-(2-aminoanilino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 228.08987 Da
Monoisotopic Mass: 3.7
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]+	229.09715	149.1
[M+Na]+	251.07909	155.8
[M-H]-	227.08259	154.5
[M+NH4]+	246.12369	165.4
[M+K]+	267.05303	151.9
[M+H-H2O]+	211.08713	141.8
[M+HCOO]-	273.08807	173.4
[M+CH3COO]-	287.10372	192.4
[M+Na-2H]-	249.06454	154.4
[M]+	228.08932	145.9
[M]-	228.09042	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe