CID 46785848

939983-20-7

Structural Information

Molecular Formula

C₉H₁₈N₂O₂S

SMILES

C1CS(=O)(=O)CCC1N2CCNCC2

InChI

InChI=1S/C9H18N2O2S/c12-14(13)7-1-9(2-8-14)11-5-3-10-4-6-11/h9-10H,1-8H2

InChIKey

RGFXOCLTTSWPRW-UHFFFAOYSA-N

Compound name

4-piperazin-1-ylthiane 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 218.1089 Da
Monoisotopic Mass: -0.5
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]+	219.116176	148.0
[M+Na]+	241.098118	152.6
[M-H]-	217.101624	149.2
[M+NH4]+	236.142723	164.9
[M+K]+	257.072058	149.5
[M+H-H2O]+	201.106160	140.9
[M+HCOO]-	263.107101	156.9
[M+CH3COO]-	277.122751	179.1
[M+Na-2H]-	239.083566	149.7
[M]+	218.10835142	140.5
[M]-	218.10944858	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe