CID 11107799

454248-55-6

Structural Information

Molecular Formula

C₉H₁₇NO₅S

SMILES

CC1(COS(=O)(=O)N1C(=O)OC(C)(C)C)C

InChI

InChI=1S/C9H17NO5S/c1-8(2,3)15-7(11)10-9(4,5)6-14-16(10,12)13/h6H2,1-5H3

InChIKey

BNXUCYJCRZGFLG-UHFFFAOYSA-N

Compound name

tert-butyl 4,4-dimethyl-2,2-dioxooxathiazolidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 251.08275 Da
Monoisotopic Mass: 1.1
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]+	252.09003	154.3
[M+Na]+	274.07197	161.8
[M+NH4]+	269.11657	162.1
[M+K]+	290.04591	156.5
[M-H]-	250.07547	152.7
[M+Na-2H]-	272.05742	157.7
[M]+	251.08220	155.4
[M]-	251.08330	155.4

Literature stripe

literature stripe

Patent stripe

patents stripe