CID 4962357

436852-26-5

Structural Information

Molecular Formula

C₈H₁₆N₂O₂S

SMILES

C1CS(=O)(=O)CC1N2CCNCC2

InChI

InChI=1S/C8H16N2O2S/c11-13(12)6-1-8(7-13)10-4-2-9-3-5-10/h8-9H,1-7H2

InChIKey

CNOXWQHELZMCQH-UHFFFAOYSA-N

Compound name

3-piperazin-1-ylthiolane 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 204.09325 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]+	205.100526	144.1
[M+Na]+	227.082468	150.4
[M-H]-	203.085974	146.1
[M+NH4]+	222.127073	163.7
[M+K]+	243.056408	147.7
[M+H-H2O]+	187.090510	137.9
[M+HCOO]-	249.091451	155.8
[M+CH3COO]-	263.107101	175.6
[M+Na-2H]-	225.067916	144.7
[M]+	204.09270142	138.7
[M]-	204.09379858	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe