CID 155821258

3-(methylsulfanyl)-1-azaspiro[4.4]nonane

Structural Information

Molecular Formula
C9H17NS
SMILES
CSC1CC2(CCCC2)NC1
InChI
InChI=1S/C9H17NS/c1-11-8-6-9(10-7-8)4-2-3-5-9/h8,10H,2-7H2,1H3
InChIKey
OQKMGONPCLJZOW-UHFFFAOYSA-N
Compound name
3-methylsulfanyl-1-azaspiro[4.4]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.10817 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.11545 139.7
[M+Na]+ 194.09739 147.7
[M+NH4]+ 189.14199 150.9
[M+K]+ 210.07133 141.2
[M-H]- 170.10089 141.5
[M+Na-2H]- 192.08284 144.2
[M]+ 171.10762 141.7
[M]- 171.10872 141.7
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

No patent data available for this compound.