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]+ 269.06243 157.9
[M+Na]+ 291.04437 164.5
[M-H]- 267.04787 159.4
[M+NH4]+ 286.08897 174.7
[M+K]+ 307.01831 160.8
[M+H-H2O]+ 251.05241 153.0
[M+HCOO]- 313.05335 163.4
[M+CH3COO]- 327.06900 183.6
[M+Na-2H]- 289.02982 158.5
[M]+ 268.05460 154.6
[M]- 268.05570 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.