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: 3968
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	134.5
[M+Na]+	192.07836	142.2
[M-H]-	168.08186	141.0
[M+NH4]+	187.12296	154.3
[M+K]+	208.05230	138.3
[M+H-H2O]+	152.08640	127.8
[M+HCOO]-	214.08734	160.0
[M+CH3COO]-	228.10299	148.3
[M+Na-2H]-	190.06381	142.4
[M]+	169.08859	131.6
[M]-	169.08969	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.