CID 12349328

7-propylazepane-2-thione

Structural Information

Molecular Formula
C9H17NS
SMILES
CCCC1CCCCC(=S)N1
InChI
InChI=1S/C9H17NS/c1-2-5-8-6-3-4-7-9(11)10-8/h8H,2-7H2,1H3,(H,10,11)
InChIKey
RZWQQYDJMZJQSO-UHFFFAOYSA-N
Compound name
7-propylazepane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.10817 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.115446 135.4
[M+Na]+ 194.097388 138.1
[M-H]- 170.100894 136.4
[M+NH4]+ 189.141993 152.7
[M+K]+ 210.071328 139.3
[M+H-H2O]+ 154.105430 129.4
[M+HCOO]- 216.106371 147.0
[M+CH3COO]- 230.122021 178.7
[M+Na-2H]- 192.082836 135.5
[M]+ 171.10762142 128.2
[M]- 171.10871858 128.2
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

No patent data available for this compound.