CID 165654902

2792200-72-5

Structural Information

Molecular Formula

C₆H₁₁NO₃S

SMILES

C1C(CN1)S(=O)(=O)C2COC2

InChI

InChI=1S/C6H11NO3S/c8-11(9,5-1-7-2-5)6-3-10-4-6/h5-7H,1-4H2

InChIKey

WRTDZRHJFJOBTI-UHFFFAOYSA-N

Compound name

3-(oxetan-3-ylsulfonyl)azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 177.04596 Da
Monoisotopic Mass: -1.3
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	117.8
[M+Na]+	200.03518	120.1
[M-H]-	176.03868	121.2
[M+NH4]+	195.07978	121.2
[M+K]+	216.00912	125.8
[M+H-H2O]+	160.04322	101.8
[M+HCOO]-	222.04416	128.3
[M+CH3COO]-	236.05981	185.5
[M+Na-2H]-	198.02063	122.3
[M]+	177.04541	132.8
[M]-	177.04651	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.