CID 157352

80965-30-6

Structural Information

Molecular Formula

C₁₁H₁₆N₂

SMILES

CC1CCN(CC1)C2=CC=NC=C2

InChI

InChI=1S/C11H16N2/c1-10-4-8-13(9-5-10)11-2-6-12-7-3-11/h2-3,6-7,10H,4-5,8-9H2,1H3

InChIKey

FGWQRDGADJMULT-UHFFFAOYSA-N

Compound name

4-(4-methylpiperidin-1-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 431
Patents: 176.13135 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]+	177.13863	140.0
[M+Na]+	199.12057	145.8
[M-H]-	175.12407	143.1
[M+NH4]+	194.16517	157.1
[M+K]+	215.09451	143.0
[M+H-H2O]+	159.12861	131.4
[M+HCOO]-	221.12955	158.4
[M+CH3COO]-	235.14520	151.8
[M+Na-2H]-	197.10602	146.0
[M]+	176.13080	135.1
[M]-	176.13190	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe