CID 16717

3-aminobiphenyl

Structural Information

Molecular Formula

C₁₂H₁₁N

SMILES

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

InChI

InChI=1S/C12H11N/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,13H2

InChIKey

MUNOBADFTHUUFG-UHFFFAOYSA-N

Compound name

3-phenylaniline

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 20
References: 3508
Patents: 169.08914 Da
Monoisotopic Mass: 3.3
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]+	170.09642	135.9
[M+Na]+	192.07836	151.2
[M+NH4]+	187.12296	146.3
[M+K]+	208.05230	142.7
[M-H]-	168.08186	142.3
[M+Na-2H]-	190.06381	147.3
[M]+	169.08859	140.1
[M]-	169.08969	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe