CID 16244360

294648-05-8

Structural Information

Molecular Formula

C₁₂H₁₂N₂

SMILES

C1=CC(=CN=C1)C2=CC=C(C=C2)CN

InChI

InChI=1S/C12H12N2/c13-8-10-3-5-11(6-4-10)12-2-1-7-14-9-12/h1-7,9H,8,13H2

InChIKey

FUHDBJVMRRGFTR-UHFFFAOYSA-N

Compound name

(4-pyridin-3-ylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 66
Patents: 184.10005 Da
Monoisotopic Mass: 1.3
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]+	185.10733	140.2
[M+Na]+	207.08927	155.2
[M+NH4]+	202.13387	149.7
[M+K]+	223.06321	146.9
[M-H]-	183.09277	145.7
[M+Na-2H]-	205.07472	151.1
[M]+	184.09950	144.0
[M]-	184.10060	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe