CID 18346021

Schembl4318115

Structural Information

Molecular Formula

C₆H₁₁NO₃S

SMILES

C1CCN2[C@@H](C1)COS2(=O)=O

InChI

InChI=1S/C6H11NO3S/c8-11(9)7-4-2-1-3-6(7)5-10-11/h6H,1-5H2/t6-/m0/s1

InChIKey

OYVIFLMZUOOUOL-LURJTMIESA-N

Compound name

(3aS)-3,3a,4,5,6,7-hexahydrooxathiazolo[3,4-a]pyridine 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 177.04596 Da
Monoisotopic Mass: 0.2
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]+	178.05324	131.5
[M+Na]+	200.03518	140.1
[M-H]-	176.03868	135.1
[M+NH4]+	195.07978	154.3
[M+K]+	216.00912	140.0
[M+H-H2O]+	160.04322	127.2
[M+HCOO]-	222.04416	145.8
[M+CH3COO]-	236.05981	172.9
[M+Na-2H]-	198.02063	136.5
[M]+	177.04541	131.5
[M]-	177.04651	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe