CID 3800620

811812-57-4

Structural Information

Molecular Formula

C₁₁H₁₆N₂

SMILES

C1CNCCC1CC2=CC=CC=N2

InChI

InChI=1S/C11H16N2/c1-2-6-13-11(3-1)9-10-4-7-12-8-5-10/h1-3,6,10,12H,4-5,7-9H2

InChIKey

AXARRSLNCQTCDG-UHFFFAOYSA-N

Compound name

2-(piperidin-4-ylmethyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 139
Patents: 176.13135 Da
Monoisotopic Mass: 1.5
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]+	177.138626	140.4
[M+Na]+	199.120568	144.8
[M-H]-	175.124074	141.7
[M+NH4]+	194.165173	156.5
[M+K]+	215.094508	141.0
[M+H-H2O]+	159.128610	131.9
[M+HCOO]-	221.129551	157.3
[M+CH3COO]-	235.145201	151.1
[M+Na-2H]-	197.106016	146.7
[M]+	176.13080142	133.2
[M]-	176.13189858	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe