CID 115014556

1888976-83-7

Structural Information

Molecular Formula

C₇H₁₃NO₂S

SMILES

C1CC2(CCS(=O)(=O)C2)NC1

InChI

InChI=1S/C7H13NO2S/c9-11(10)5-3-7(6-11)2-1-4-8-7/h8H,1-6H2

InChIKey

GWWCFIVMDNTFAE-UHFFFAOYSA-N

Compound name

7lambda6-thia-1-azaspiro[4.4]nonane 7,7-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 175.0667 Da
Monoisotopic Mass: -0.3
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]+	176.07398	138.3
[M+Na]+	198.05592	145.8
[M+NH4]+	193.10052	149.4
[M+K]+	214.02986	138.8
[M-H]-	174.05942	138.5
[M+Na-2H]-	196.04137	143.7
[M]+	175.06615	139.8
[M]-	175.06725	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.