CID 238354

6312-25-0

Structural Information

Molecular Formula

C₁₄H₁₆N₂

SMILES

C1=CC=C(C=C1)CNCCC2=CC=CC=N2

InChI

InChI=1S/C14H16N2/c1-2-6-13(7-3-1)12-15-11-9-14-8-4-5-10-16-14/h1-8,10,15H,9,11-12H2

InChIKey

WUDUNBALAGWKQB-UHFFFAOYSA-N

Compound name

N-benzyl-2-pyridin-2-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 212.13135 Da
Monoisotopic Mass: 1.9
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]+	213.13863	149.5
[M+Na]+	235.12057	164.0
[M+NH4]+	230.16517	158.8
[M+K]+	251.09451	154.8
[M-H]-	211.12407	155.0
[M+Na-2H]-	233.10602	160.5
[M]+	212.13080	153.2
[M]-	212.13190	153.2

Literature stripe

literature stripe

Patent stripe

patents stripe