CID 23584020

3-boc-1,2,3-oxathiazolidine 2,2-dioxide

Structural Information

Molecular Formula
C7H13NO5S
SMILES
CC(C)(C)OC(=O)N1CCOS1(=O)=O
InChI
InChI=1S/C7H13NO5S/c1-7(2,3)13-6(9)8-4-5-12-14(8,10)11/h4-5H2,1-3H3
InChIKey
ALJRPIAYJALVFG-UHFFFAOYSA-N
Compound name
tert-butyl 2,2-dioxooxathiazolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

369
Patents

223.05144 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.05872 143.3
[M+Na]+ 246.04066 152.0
[M-H]- 222.04416 146.7
[M+NH4]+ 241.08526 163.4
[M+K]+ 262.01460 153.2
[M+H-H2O]+ 206.04870 139.6
[M+HCOO]- 268.04964 158.2
[M+CH3COO]- 282.06529 180.3
[M+Na-2H]- 244.02611 147.3
[M]+ 223.05089 148.3
[M]- 223.05199 148.3
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.