CID 64221435

9-thia-2-azaspiro[5.5]undecane

Structural Information

Molecular Formula
C9H17NS
SMILES
C1CC2(CCSCC2)CNC1
InChI
InChI=1S/C9H17NS/c1-2-9(8-10-5-1)3-6-11-7-4-9/h10H,1-8H2
InChIKey
MMWNPSSAXCDZSK-UHFFFAOYSA-N
Compound name
9-thia-2-azaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

171.10817 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.11545 138.0
[M+Na]+ 194.09739 147.9
[M+NH4]+ 189.14199 149.8
[M+K]+ 210.07133 137.1
[M-H]- 170.10089 141.3
[M+Na-2H]- 192.08284 144.9
[M]+ 171.10762 140.9
[M]- 171.10872 140.9
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

patents stripe