CID 12336049

Cyclohexanecarbothioamide

Structural Information

Molecular Formula
C7H13NS
SMILES
C1CCC(CC1)C(=S)N
InChI
InChI=1S/C7H13NS/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9)
InChIKey
JMMKXVYQBRGGJF-UHFFFAOYSA-N
Compound name
cyclohexanecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

449
Patents

143.07687 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.084146 130.0
[M+Na]+ 166.066088 134.5
[M-H]- 142.069594 132.4
[M+NH4]+ 161.110693 151.1
[M+K]+ 182.040028 132.3
[M+H-H2O]+ 126.074130 124.6
[M+HCOO]- 188.075071 145.0
[M+CH3COO]- 202.090721 174.3
[M+Na-2H]- 164.051536 131.1
[M]+ 143.07632142 124.0
[M]- 143.07741858 124.0
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