CID 155820587

2422150-99-8

Structural Information

Molecular Formula
C9H17NO5S
SMILES
C[C@@H]1CCOS(=O)(=O)N1C(=O)OC(C)(C)C
InChI
InChI=1S/C9H17NO5S/c1-7-5-6-14-16(12,13)10(7)8(11)15-9(2,3)4/h7H,5-6H2,1-4H3/t7-/m1/s1
InChIKey
BUKLBVNCVKRWDW-SSDOTTSWSA-N
Compound name
tert-butyl (4R)-4-methyl-2,2-dioxooxathiazinane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.08275 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.09003 154.8
[M+Na]+ 274.07197 163.3
[M+NH4]+ 269.11657 161.5
[M+K]+ 290.04591 157.6
[M-H]- 250.07547 154.0
[M+Na-2H]- 272.05742 157.4
[M]+ 251.08220 156.1
[M]- 251.08330 156.1
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.