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 149.9
[M+Na]+ 274.07197 157.6
[M-H]- 250.07547 153.0
[M+NH4]+ 269.11657 167.3
[M+K]+ 290.04591 158.5
[M+H-H2O]+ 234.08001 145.4
[M+HCOO]- 296.08095 162.0
[M+CH3COO]- 310.09660 188.0
[M+Na-2H]- 272.05742 153.8
[M]+ 251.08220 153.9
[M]- 251.08330 153.9
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.