CID 3623948

3-(piperidin-1-ylsulphonyl)pyridine

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂S

SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=CC=C2

InChI

InChI=1S/C10H14N2O2S/c13-15(14,10-5-4-6-11-9-10)12-7-2-1-3-8-12/h4-6,9H,1-3,7-8H2

InChIKey

YVNUZIJEPPTRCL-UHFFFAOYSA-N

Compound name

3-piperidin-1-ylsulfonylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 226.0776 Da
Monoisotopic Mass: 0.8
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]+	227.084876	148.4
[M+Na]+	249.066818	154.9
[M-H]-	225.070324	151.8
[M+NH4]+	244.111423	163.8
[M+K]+	265.040758	151.6
[M+H-H2O]+	209.074860	140.6
[M+HCOO]-	271.075801	161.4
[M+CH3COO]-	285.091451	183.1
[M+Na-2H]-	247.052266	153.1
[M]+	226.07705142	146.0
[M]-	226.07814858	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe