CID 63166533

1588960-00-2

Structural Information

Molecular Formula

C₈H₁₅NO₂S

SMILES

C1CNCCC12CCS(=O)(=O)C2

InChI

InChI=1S/C8H15NO2S/c10-12(11)6-3-8(7-12)1-4-9-5-2-8/h9H,1-7H2

InChIKey

FVUDNBMDLDEMNF-UHFFFAOYSA-N

Compound name

2lambda6-thia-8-azaspiro[4.5]decane 2,2-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 189.08235 Da
Monoisotopic Mass: -0.1
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]+	190.08963	140.0
[M+Na]+	212.07157	146.9
[M-H]-	188.07507	142.5
[M+NH4]+	207.11617	163.8
[M+K]+	228.04551	144.2
[M+H-H2O]+	172.07961	135.4
[M+HCOO]-	234.08055	152.8
[M+CH3COO]-	248.09620	152.0
[M+Na-2H]-	210.05702	143.4
[M]+	189.08180	134.9
[M]-	189.08290	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe