CID 75525943

1365481-13-5

Structural Information

Molecular Formula

C₈H₁₅NO₅S

SMILES

CC1CN(S(=O)(=O)O1)C(=O)OC(C)(C)C

InChI

InChI=1S/C8H15NO5S/c1-6-5-9(15(11,12)14-6)7(10)13-8(2,3)4/h6H,5H2,1-4H3

InChIKey

ZGFOJWQAHCHOLG-UHFFFAOYSA-N

Compound name

tert-butyl 5-methyl-2,2-dioxooxathiazolidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 237.0671 Da
Monoisotopic Mass: 0.9
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]+	238.07438	151.9
[M+Na]+	260.05632	159.6
[M+NH4]+	255.10092	158.5
[M+K]+	276.03026	156.0
[M-H]-	236.05982	150.4
[M+Na-2H]-	258.04177	153.6
[M]+	237.06655	152.8
[M]-	237.06765	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe