CID 12622134

1-(2-pyridyl)-4-thia-1-azaspiro[4.5]decan-2-one

Structural Information

Molecular Formula
C13H16N2OS
SMILES
C1CCC2(CC1)N(C(=O)CS2)C3=CC=CC=N3
InChI
InChI=1S/C13H16N2OS/c16-12-10-17-13(7-3-1-4-8-13)15(12)11-6-2-5-9-14-11/h2,5-6,9H,1,3-4,7-8,10H2
InChIKey
BGKXGAHIFWGLAJ-UHFFFAOYSA-N
Compound name
4-pyridin-2-yl-1-thia-4-azaspiro[4.5]decan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.09833 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10561 155.9
[M+Na]+ 271.08755 162.8
[M-H]- 247.09105 161.5
[M+NH4]+ 266.13215 174.8
[M+K]+ 287.06149 158.8
[M+H-H2O]+ 231.09559 148.0
[M+HCOO]- 293.09653 168.8
[M+CH3COO]- 307.11218 167.0
[M+Na-2H]- 269.07300 157.2
[M]+ 248.09778 151.6
[M]- 248.09888 151.6
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

No patent data available for this compound.