CID 73013724

2408281-71-8

Structural Information

Molecular Formula

C₈H₁₆N₂O₂S

SMILES

CS(=O)(=O)N1CCC2(CC1)CNC2

InChI

InChI=1S/C8H16N2O2S/c1-13(11,12)10-4-2-8(3-5-10)6-9-7-8/h9H,2-7H2,1H3

InChIKey

WRWIKWVLSYLALU-UHFFFAOYSA-N

Compound name

7-methylsulfonyl-2,7-diazaspiro[3.5]nonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 204.09325 Da
Monoisotopic Mass: -0.5
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]+	205.100526	139.9
[M+Na]+	227.082468	144.3
[M-H]-	203.085974	140.4
[M+NH4]+	222.127073	151.4
[M+K]+	243.056408	144.9
[M+H-H2O]+	187.090510	128.7
[M+HCOO]-	249.091451	148.8
[M+CH3COO]-	263.107101	180.4
[M+Na-2H]-	225.067916	144.2
[M]+	204.09270142	144.4
[M]-	204.09379858	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe