CID 46941922

1263286-40-3

Structural Information

Molecular Formula

C₁₁H₁₆N₂

SMILES

C1CC(CNC1)CC2=CC=CC=N2

InChI

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

InChIKey

BHLRTVMNBWNWSR-UHFFFAOYSA-N

Compound name

2-(piperidin-3-ylmethyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
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]+	177.13863	140.4
[M+Na]+	199.12057	144.8
[M-H]-	175.12407	141.7
[M+NH4]+	194.16517	156.5
[M+K]+	215.09451	141.0
[M+H-H2O]+	159.12861	131.9
[M+HCOO]-	221.12955	157.3
[M+CH3COO]-	235.14520	151.1
[M+Na-2H]-	197.10602	146.7
[M]+	176.13080	133.2
[M]-	176.13190	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe