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 140.2
[M+Na]+ 194.09739 146.8
[M-H]- 170.10089 143.0
[M+NH4]+ 189.14199 165.0
[M+K]+ 210.07133 144.3
[M+H-H2O]+ 154.10543 135.3
[M+HCOO]- 216.10637 154.3
[M+CH3COO]- 230.12202 152.5
[M+Na-2H]- 192.08284 139.9
[M]+ 171.10762 135.9
[M]- 171.10872 135.9
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.