CID 5095908

N-(piperidin-4-ylmethyl)methanesulfonamide

Structural Information

Molecular Formula

C₇H₁₆N₂O₂S

SMILES

CS(=O)(=O)NCC1CCNCC1

InChI

InChI=1S/C7H16N2O2S/c1-12(10,11)9-6-7-2-4-8-5-3-7/h7-9H,2-6H2,1H3

InChIKey

LULUGSQUPICPQM-UHFFFAOYSA-N

Compound name

N-(piperidin-4-ylmethyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 192.09325 Da
Monoisotopic Mass: -0.4
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]+	193.100526	141.0
[M+Na]+	215.082468	145.7
[M-H]-	191.085974	140.9
[M+NH4]+	210.127073	158.3
[M+K]+	231.056408	142.9
[M+H-H2O]+	175.090510	134.9
[M+HCOO]-	237.091451	154.0
[M+CH3COO]-	251.107101	177.9
[M+Na-2H]-	213.067916	144.6
[M]+	192.09270142	136.9
[M]-	192.09379858	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe