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

23
Patents

204.09325 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.10053 139.9
[M+Na]+ 227.08247 144.3
[M-H]- 203.08597 140.4
[M+NH4]+ 222.12707 151.4
[M+K]+ 243.05641 144.9
[M+H-H2O]+ 187.09051 128.7
[M+HCOO]- 249.09145 148.8
[M+CH3COO]- 263.10710 180.4
[M+Na-2H]- 225.06792 144.2
[M]+ 204.09270 144.4
[M]- 204.09380 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe