CID 91800921

1417287-40-1

Structural Information

Molecular Formula

C₉H₁₇NO₅S

SMILES

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

InChI

InChI=1S/C9H17NO5S/c1-5-7-6-14-16(12,13)10(7)8(11)15-9(2,3)4/h7H,5-6H2,1-4H3/t7-/m1/s1

InChIKey

RGMWNSRIFDGQIH-SSDOTTSWSA-N

Compound name

tert-butyl (4R)-4-ethyl-2,2-dioxooxathiazolidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 251.08275 Da
Monoisotopic Mass: 1.5
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]+	252.09003	150.9
[M+Na]+	274.07197	159.6
[M-H]-	250.07547	154.3
[M+NH4]+	269.11657	170.2
[M+K]+	290.04591	160.3
[M+H-H2O]+	234.08001	147.2
[M+HCOO]-	296.08095	165.1
[M+CH3COO]-	310.09660	187.5
[M+Na-2H]-	272.05742	153.5
[M]+	251.08220	157.0
[M]-	251.08330	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe