CID 11971671

Azocane-2-thione

Structural Information

Molecular Formula
C7H13NS
SMILES
C1CCCNC(=S)CC1
InChI
InChI=1S/C7H13NS/c9-7-5-3-1-2-4-6-8-7/h1-6H2,(H,8,9)
InChIKey
ZLUNIUCVHBOLSC-UHFFFAOYSA-N
Compound name
azocane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

143.07687 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.08415 137.7
[M+Na]+ 166.06609 142.0
[M-H]- 142.06959 138.3
[M+NH4]+ 161.11069 146.8
[M+K]+ 182.04003 141.9
[M+H-H2O]+ 126.07413 134.5
[M+HCOO]- 188.07507 143.8
[M+CH3COO]- 202.09072 142.8
[M+Na-2H]- 164.05154 137.6
[M]+ 143.07632 135.2
[M]- 143.07742 135.2
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