CID 73977785

521267-18-5

Structural Information

Molecular Formula
C8H15NO5S
SMILES
CC(C)(C)OC(=O)N1CCCOS1(=O)=O
InChI
InChI=1S/C8H15NO5S/c1-8(2,3)14-7(10)9-5-4-6-13-15(9,11)12/h4-6H2,1-3H3
InChIKey
LQCKYZKFOOSNFJ-UHFFFAOYSA-N
Compound name
tert-butyl 2,2-dioxooxathiazinane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

237.0671 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.07438 146.7
[M+Na]+ 260.05632 154.0
[M-H]- 236.05982 149.6
[M+NH4]+ 255.10092 164.3
[M+K]+ 276.03026 155.0
[M+H-H2O]+ 220.06436 142.0
[M+HCOO]- 282.06530 159.2
[M+CH3COO]- 296.08095 183.7
[M+Na-2H]- 258.04177 151.6
[M]+ 237.06655 149.9
[M]- 237.06765 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe