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]+ 172.11545 135.4
[M+Na]+ 194.09739 138.1
[M-H]- 170.10089 136.4
[M+NH4]+ 189.14199 152.7
[M+K]+ 210.07133 139.3
[M+H-H2O]+ 154.10543 129.4
[M+HCOO]- 216.10637 147.0
[M+CH3COO]- 230.12202 178.7
[M+Na-2H]- 192.08284 135.5
[M]+ 171.10762 128.2
[M]- 171.10872 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.