CID 208100

31644-46-9

Structural Information

Molecular Formula

C₇H₁₆N₂O₂S

SMILES

C1CCN(CC1)S(=O)(=O)CCN

InChI

InChI=1S/C7H16N2O2S/c8-4-7-12(10,11)9-5-2-1-3-6-9/h1-8H2

InChIKey

WLOGRANXQCUIPF-UHFFFAOYSA-N

Compound name

2-piperidin-1-ylsulfonylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 192.09325 Da
Monoisotopic Mass: -0.6
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]+	193.100526	141.0
[M+Na]+	215.082468	146.2
[M-H]-	191.085974	141.9
[M+NH4]+	210.127073	158.8
[M+K]+	231.056408	144.0
[M+H-H2O]+	175.090510	134.7
[M+HCOO]-	237.091451	154.9
[M+CH3COO]-	251.107101	179.8
[M+Na-2H]-	213.067916	144.1
[M]+	192.09270142	137.8
[M]-	192.09379858	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe