CID 10988294

439948-91-1

Structural Information

Molecular Formula
C8H15NO5S
SMILES
C[C@H]1COS(=O)(=O)N1C(=O)OC(C)(C)C
InChI
InChI=1S/C8H15NO5S/c1-6-5-13-15(11,12)9(6)7(10)14-8(2,3)4/h6H,5H2,1-4H3/t6-/m0/s1
InChIKey
NFAKQWFVEAEEPG-LURJTMIESA-N
Compound name
tert-butyl (4S)-4-methyl-2,2-dioxooxathiazolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

362
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 146.4
[M+Na]+ 260.05632 155.5
[M-H]- 236.05982 150.0
[M+NH4]+ 255.10092 166.3
[M+K]+ 276.03026 156.5
[M+H-H2O]+ 220.06436 142.9
[M+HCOO]- 282.06530 161.0
[M+CH3COO]- 296.08095 184.5
[M+Na-2H]- 258.04177 149.4
[M]+ 237.06655 152.1
[M]- 237.06765 152.1
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