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

431
Patents

143.07687 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.08415 129.9
[M+Na]+ 166.06609 139.0
[M+NH4]+ 161.11069 139.5
[M+K]+ 182.04003 131.3
[M-H]- 142.06959 132.6
[M+Na-2H]- 164.05154 134.4
[M]+ 143.07632 132.2
[M]- 143.07742 132.2
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

patents stripe