CID 81040405

2060057-39-6

Structural Information

Molecular Formula
C9H18N2O2S
SMILES
C1CC(S(=O)(=O)C1)CN2CCNCC2
InChI
InChI=1S/C9H18N2O2S/c12-14(13)7-1-2-9(14)8-11-5-3-10-4-6-11/h9-10H,1-8H2
InChIKey
HHGFMQJWYBKMQM-UHFFFAOYSA-N
Compound name
2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1089 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.116176 148.3
[M+Na]+ 241.098118 154.1
[M-H]- 217.101624 150.1
[M+NH4]+ 236.142723 167.3
[M+K]+ 257.072058 151.1
[M+H-H2O]+ 201.106160 141.8
[M+HCOO]- 263.107101 159.6
[M+CH3COO]- 277.122751 178.6
[M+Na-2H]- 239.083566 148.4
[M]+ 218.10835142 143.2
[M]- 218.10944858 143.2
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.