CID 308678

5730-78-9

Structural Information

Molecular Formula

C₁₃H₁₁NO₂

SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)N)C(=O)O

InChI

InChI=1S/C13H11NO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,14H2,(H,15,16)

InChIKey

ZSFKODANZQVHCK-UHFFFAOYSA-N

Compound name

4-(4-aminophenyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 391
Patents: 213.07898 Da
Monoisotopic Mass: 1.5
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]+	214.08626	146.6
[M+Na]+	236.06820	160.2
[M+NH4]+	231.11280	154.9
[M+K]+	252.04214	153.7
[M-H]-	212.07170	151.0
[M+Na-2H]-	234.05365	155.4
[M]+	213.07843	149.7
[M]-	213.07953	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe