CID 97685046

1858273-22-9

Structural Information

Molecular Formula

C₁₀H₁₉NO₅S

SMILES

CC(C)[C@@H]1COS(=O)(=O)N1C(=O)OC(C)(C)C

InChI

InChI=1S/C10H19NO5S/c1-7(2)8-6-15-17(13,14)11(8)9(12)16-10(3,4)5/h7-8H,6H2,1-5H3/t8-/m0/s1

InChIKey

FWEXSIHWPAKSOP-QMMMGPOBSA-N

Compound name

tert-butyl (4R)-2,2-dioxo-4-propan-2-yloxathiazolidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 265.0984 Da
Monoisotopic Mass: 1.9
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]+	266.105676	154.7
[M+Na]+	288.087618	162.7
[M-H]-	264.091124	158.0
[M+NH4]+	283.132223	173.4
[M+K]+	304.061558	163.8
[M+H-H2O]+	248.095660	151.1
[M+HCOO]-	310.096601	167.6
[M+CH3COO]-	324.112251	191.4
[M+Na-2H]-	286.073066	155.9
[M]+	265.09785142	160.6
[M]-	265.09894858	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe