CID 58808819

3-chloro-2-(piperidin-4-yl)pyridine

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂

SMILES

C1CNCCC1C2=C(C=CC=N2)Cl

InChI

InChI=1S/C10H13ClN2/c11-9-2-1-5-13-10(9)8-3-6-12-7-4-8/h1-2,5,8,12H,3-4,6-7H2

InChIKey

LAFOOCMIGLKZNC-UHFFFAOYSA-N

Compound name

3-chloro-2-piperidin-4-ylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 196.07672 Da
Monoisotopic Mass: 1.6
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]+	197.083996	142.0
[M+Na]+	219.065938	148.5
[M-H]-	195.069444	143.5
[M+NH4]+	214.110543	158.4
[M+K]+	235.039878	143.2
[M+H-H2O]+	179.073980	134.3
[M+HCOO]-	241.074921	154.5
[M+CH3COO]-	255.090571	153.0
[M+Na-2H]-	217.051386	147.5
[M]+	196.07617142	136.8
[M]-	196.07726858	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe