CID 23584020

459817-82-4

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: 398
Patents: 223.05144 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	224.05872	147.8
[M+Na]+	246.04066	155.3
[M+NH4]+	241.08526	154.6
[M+K]+	262.01460	151.7
[M-H]-	222.04416	146.3
[M+Na-2H]-	244.02611	149.9
[M]+	223.05089	148.7
[M]-	223.05199	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe