CID 118989839

1956378-90-7

Structural Information

Molecular Formula
C9H17NO5S
SMILES
CC1(CN(S(=O)(=O)O1)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C9H17NO5S/c1-8(2,3)14-7(11)10-6-9(4,5)15-16(10,12)13/h6H2,1-5H3
InChIKey
BYIAWCYJBINANP-UHFFFAOYSA-N
Compound name
tert-butyl 5,5-dimethyl-2,2-dioxooxathiazolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.