CID 23362

2-benzylaminopyridine

Structural Information

Molecular Formula

C₁₂H₁₂N₂

SMILES

C1=CC=C(C=C1)CNC2=CC=CC=N2

InChI

InChI=1S/C12H12N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-9H,10H2,(H,13,14)

InChIKey

WYHXNQXDQQMTQI-UHFFFAOYSA-N

Compound name

N-benzylpyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 11
References: 549
Patents: 184.10005 Da
Monoisotopic Mass: 2.7
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	138.4
[M+Na]+	207.08927	145.1
[M-H]-	183.09277	143.4
[M+NH4]+	202.13387	156.1
[M+K]+	223.06321	141.3
[M+H-H2O]+	167.09731	130.2
[M+HCOO]-	229.09825	163.2
[M+CH3COO]-	243.11390	151.3
[M+Na-2H]-	205.07472	148.2
[M]+	184.09950	136.5
[M]-	184.10060	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe