CID 84651272

2306261-59-4

Structural Information

Molecular Formula

C₆H₁₁NO₂S

SMILES

C1CS(=O)(=O)CC12CNC2

InChI

InChI=1S/C6H11NO2S/c8-10(9)2-1-6(5-10)3-7-4-6/h7H,1-5H2

InChIKey

KSMLNAGILMYLTP-UHFFFAOYSA-N

Compound name

6lambda6-thia-2-azaspiro[3.4]octane 6,6-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 161.05106 Da
Monoisotopic Mass: -0.8
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]+	162.058336	126.5
[M+Na]+	184.040278	133.2
[M-H]-	160.043784	129.7
[M+NH4]+	179.084883	144.9
[M+K]+	200.014218	133.8
[M+H-H2O]+	144.048320	118.1
[M+HCOO]-	206.049261	140.9
[M+CH3COO]-	220.064911	171.1
[M+Na-2H]-	182.025726	131.1
[M]+	161.05051142	133.0
[M]-	161.05160858	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe