CID 105431706

2219419-10-8

Structural Information

Molecular Formula
C6H11NO2S
SMILES
C1CN[C@H]2[C@@H]1CS(=O)(=O)C2
InChI
InChI=1S/C6H11NO2S/c8-10(9)3-5-1-2-7-6(5)4-10/h5-7H,1-4H2/t5-,6+/m0/s1
InChIKey
USZANPJZIZCJGJ-NTSWFWBYSA-N
Compound name
(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-b]pyrrole 5,5-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 132.5
[M+Na]+ 184.04028 141.8
[M-H]- 160.04378 134.7
[M+NH4]+ 179.08488 158.5
[M+K]+ 200.01422 139.6
[M+H-H2O]+ 144.04832 129.0
[M+HCOO]- 206.04926 148.0
[M+CH3COO]- 220.06491 168.3
[M+Na-2H]- 182.02573 134.5
[M]+ 161.05051 131.0
[M]- 161.05161 131.0
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.