CID 82417839

2648942-10-1

Structural Information

Molecular Formula
C7H13NS
SMILES
C1CC2(CNC1)CSC2
InChI
InChI=1S/C7H13NS/c1-2-7(4-8-3-1)5-9-6-7/h8H,1-6H2
InChIKey
RLQNCQMKVKCRBT-UHFFFAOYSA-N
Compound name
2-thia-8-azaspiro[3.5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

143.07687 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.08415 123.2
[M+Na]+ 166.06609 128.7
[M+NH4]+ 161.11069 130.7
[M+K]+ 182.04003 121.3
[M-H]- 142.06959 123.0
[M+Na-2H]- 164.05154 127.9
[M]+ 143.07632 123.2
[M]- 143.07742 123.2
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