CID 14155910

1-thia-4-azaspiro[4.5]decane

Structural Information

Molecular Formula
C8H15NS
SMILES
C1CCC2(CC1)NCCS2
InChI
InChI=1S/C8H15NS/c1-2-4-8(5-3-1)9-6-7-10-8/h9H,1-7H2
InChIKey
DEFXLTDEFZBBPO-UHFFFAOYSA-N
Compound name
1-thia-4-azaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

157.09251 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.099786 134.7
[M+Na]+ 180.081728 139.6
[M-H]- 156.085234 136.6
[M+NH4]+ 175.126333 157.7
[M+K]+ 196.055668 137.0
[M+H-H2O]+ 140.089770 129.1
[M+HCOO]- 202.090711 146.8
[M+CH3COO]- 216.106361 146.2
[M+Na-2H]- 178.067176 137.0
[M]+ 157.09196142 127.2
[M]- 157.09305858 127.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe