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

3
Patents

171.10817 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.115446 137.4
[M+Na]+ 194.097388 140.6
[M-H]- 170.100894 138.7
[M+NH4]+ 189.141993 157.9
[M+K]+ 210.071328 137.7
[M+H-H2O]+ 154.105430 131.2
[M+HCOO]- 216.106371 147.0
[M+CH3COO]- 230.122021 147.7
[M+Na-2H]- 192.082836 141.0
[M]+ 171.10762142 128.0
[M]- 171.10871858 128.0
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