CID 59151546

(3-(pyridin-2-yl)phenyl)methanamine

Structural Information

Molecular Formula

C₁₂H₁₂N₂

SMILES

C1=CC=NC(=C1)C2=CC=CC(=C2)CN

InChI

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

InChIKey

XCGMBXPNSVFNGC-UHFFFAOYSA-N

Compound name

(3-pyridin-2-ylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 37
Patents: 184.10005 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]+	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