CID 16770329

3-(piperazine-1-sulfonyl)-1lambda6-thiolane-1,1-dione hydrochloride

Structural Information

Molecular Formula
C8H16N2O4S2
SMILES
C1CS(=O)(=O)CC1S(=O)(=O)N2CCNCC2
InChI
InChI=1S/C8H16N2O4S2/c11-15(12)6-1-8(7-15)16(13,14)10-4-2-9-3-5-10/h8-9H,1-7H2
InChIKey
OCYAOFVOHFQNOR-UHFFFAOYSA-N
Compound name
3-piperazin-1-ylsulfonylthiolane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.05515 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.062426 157.9
[M+Na]+ 291.044368 164.5
[M-H]- 267.047874 159.4
[M+NH4]+ 286.088973 174.7
[M+K]+ 307.018308 160.8
[M+H-H2O]+ 251.052410 153.0
[M+HCOO]- 313.053351 163.4
[M+CH3COO]- 327.069001 183.6
[M+Na-2H]- 289.029816 158.5
[M]+ 268.05460142 154.6
[M]- 268.05569858 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.