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 132.1
[M+Na]+ 200.03518 140.3
[M-H]- 176.03868 134.3
[M+NH4]+ 195.07978 154.2
[M+K]+ 216.00912 139.2
[M+H-H2O]+ 160.04322 128.1
[M+HCOO]- 222.04416 144.9
[M+CH3COO]- 236.05981 170.3
[M+Na-2H]- 198.02063 136.7
[M]+ 177.04541 130.3
[M]- 177.04651 130.3
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.