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: 46
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]+	219.11618	148.4
[M+Na]+	241.09812	157.8
[M+NH4]+	236.14272	157.5
[M+K]+	257.07206	148.5
[M-H]-	217.10162	149.9
[M+Na-2H]-	239.08357	153.9
[M]+	218.10835	150.4
[M]-	218.10945	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe