CID 28363735

2219374-13-5

Structural Information

Molecular Formula
C6H11NO3S
SMILES
C1CO[C@@H]2CS(=O)(=O)C[C@@H]2N1
InChI
InChI=1S/C6H11NO3S/c8-11(9)3-5-6(4-11)10-2-1-7-5/h5-7H,1-4H2/t5-,6+/m0/s1
InChIKey
CGKLUTMISMZEFO-NTSWFWBYSA-N
Compound name
(4aR,7aS)-3,4,4a,5,7,7a-hexahydro-2H-thieno[3,4-b][1,4]oxazine 6,6-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.04596 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.05324 135.0
[M+Na]+ 200.03518 144.0
[M+NH4]+ 195.07978 144.6
[M+K]+ 216.00912 137.7
[M-H]- 176.03868 136.0
[M+Na-2H]- 198.02063 137.9
[M]+ 177.04541 136.9
[M]- 177.04651 136.9
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.