CID 201619

16562-17-7

Structural Information

Molecular Formula

C₁₄H₁₆N₂

SMILES

C1=CC=C(C=C1)CCNCC2=CN=CC=C2

InChI

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

InChIKey

FVBKSGYPLUPKMV-UHFFFAOYSA-N

Compound name

2-phenyl-N-(pyridin-3-ylmethyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 4
Patents: 212.13135 Da
Monoisotopic Mass: 2.3
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]+	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

patents stripe