CID 25324035

1172964-41-8

Structural Information

Molecular Formula
C6H11NO2S
SMILES
C1CS(=O)(=O)[C@H]2[C@@H]1CNC2
InChI
InChI=1S/C6H11NO2S/c8-10(9)2-1-5-3-7-4-6(5)10/h5-7H,1-4H2/t5-,6+/m0/s1
InChIKey
XUHXWYFUDSFSMH-NTSWFWBYSA-N
Compound name
(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

161.05106 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05834 133.9
[M+Na]+ 184.04028 141.8
[M+NH4]+ 179.08488 143.8
[M+K]+ 200.01422 136.7
[M-H]- 160.04378 133.4
[M+Na-2H]- 182.02573 136.5
[M]+ 161.05051 135.0
[M]- 161.05161 135.0
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.