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

407
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

literature stripe

Patent stripe

patents stripe