CID 2851717

66335-85-1

Structural Information

Molecular Formula

C₉H₁₇NO₃S

SMILES

C1CCN(CC1)C2CS(=O)(=O)CC2O

InChI

InChI=1S/C9H17NO3S/c11-9-7-14(12,13)6-8(9)10-4-2-1-3-5-10/h8-9,11H,1-7H2

InChIKey

SNEPMRMWHXCLPC-UHFFFAOYSA-N

Compound name

1,1-dioxo-4-piperidin-1-ylthiolan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 219.09291 Da
Monoisotopic Mass: -0.3
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]+	220.100186	147.0
[M+Na]+	242.082128	153.5
[M-H]-	218.085634	150.6
[M+NH4]+	237.126733	167.6
[M+K]+	258.056068	151.0
[M+H-H2O]+	202.090170	141.8
[M+HCOO]-	264.091111	159.7
[M+CH3COO]-	278.106761	179.1
[M+Na-2H]-	240.067576	147.0
[M]+	219.09236142	143.3
[M]-	219.09345858	143.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.