CID 74927

Pyridine, 3-((diethylamino)methyl)-

Structural Information

Molecular Formula

C₁₀H₁₆N₂

SMILES

CCN(CC)CC1=CN=CC=C1

InChI

InChI=1S/C10H16N2/c1-3-12(4-2)9-10-6-5-7-11-8-10/h5-8H,3-4,9H2,1-2H3

InChIKey

UEUUOSYQIZIXMD-UHFFFAOYSA-N

Compound name

N-ethyl-N-(pyridin-3-ylmethyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 164.13135 Da
Monoisotopic Mass: 1.0
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]+	165.13863	137.0
[M+Na]+	187.12057	149.5
[M+NH4]+	182.16517	146.0
[M+K]+	203.09451	142.3
[M-H]-	163.12407	140.1
[M+Na-2H]-	185.10602	145.1
[M]+	164.13080	139.6
[M]-	164.13190	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe