CID 2063754

6389-59-9

Structural Information

Molecular Formula

C₁₄H₁₆N₂

SMILES

C1=CC=C(C=C1)CCNCC2=CC=CC=N2

InChI

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

InChIKey

BPCVSTFLDMPNBX-UHFFFAOYSA-N

Compound name

2-phenyl-N-(pyridin-2-ylmethyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 212.13135 Da
Monoisotopic Mass: 2.2
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	147.5
[M+Na]+	235.12057	153.3
[M-H]-	211.12407	152.1
[M+NH4]+	230.16517	164.0
[M+K]+	251.09451	149.0
[M+H-H2O]+	195.12861	138.9
[M+HCOO]-	257.12955	171.6
[M+CH3COO]-	271.14520	189.6
[M+Na-2H]-	233.10602	156.2
[M]+	212.13080	146.3
[M]-	212.13190	146.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.