CID 11107799

454248-55-6

Structural Information

Molecular Formula
C9H17NO5S
SMILES
CC1(COS(=O)(=O)N1C(=O)OC(C)(C)C)C
InChI
InChI=1S/C9H17NO5S/c1-8(2,3)15-7(11)10-9(4,5)6-14-16(10,12)13/h6H2,1-5H3
InChIKey
BNXUCYJCRZGFLG-UHFFFAOYSA-N
Compound name
tert-butyl 4,4-dimethyl-2,2-dioxooxathiazolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

251.08275 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.09003 147.1
[M+Na]+ 274.07197 156.6
[M-H]- 250.07547 150.7
[M+NH4]+ 269.11657 168.4
[M+K]+ 290.04591 157.8
[M+H-H2O]+ 234.08001 144.8
[M+HCOO]- 296.08095 161.3
[M+CH3COO]- 310.09660 187.3
[M+Na-2H]- 272.05742 151.8
[M]+ 251.08220 153.8
[M]- 251.08330 153.8
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