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: 7
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]+	190.089626	140.0
[M+Na]+	212.071568	146.9
[M-H]-	188.075074	142.5
[M+NH4]+	207.116173	163.8
[M+K]+	228.045508	144.2
[M+H-H2O]+	172.079610	135.4
[M+HCOO]-	234.080551	152.8
[M+CH3COO]-	248.096201	152.0
[M+Na-2H]-	210.057016	143.4
[M]+	189.08180142	134.9
[M]-	189.08289858	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe