CID 11971672

Azonane-2-thione

Structural Information

Molecular Formula
C8H15NS
SMILES
C1CCCC(=S)NCCC1
InChI
InChI=1S/C8H15NS/c10-8-6-4-2-1-3-5-7-9-8/h1-7H2,(H,9,10)
InChIKey
RSZRTFBUXPOVAO-UHFFFAOYSA-N
Compound name
azonane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

157.09251 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.099786 181.7
[M+Na]+ 180.081728 184.7
[M-H]- 156.085234 182.2
[M+NH4]+ 175.126333 182.5
[M+K]+ 196.055668 182.4
[M+H-H2O]+ 140.089770 173.9
[M+HCOO]- 202.090711 183.4
[M+CH3COO]- 216.106361 184.3
[M+Na-2H]- 178.067176 185.8
[M]+ 157.09196142 182.8
[M]- 157.09305858 182.8
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