CID 18755158

2-cyclohexylethanethioamide

Structural Information

Molecular Formula
C8H15NS
SMILES
C1CCC(CC1)CC(=S)N
InChI
InChI=1S/C8H15NS/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,9,10)
InChIKey
OEUGOZGOSIBTRU-UHFFFAOYSA-N
Compound name
2-cyclohexylethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

157.09251 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.09979 134.4
[M+Na]+ 180.08173 138.4
[M-H]- 156.08523 136.5
[M+NH4]+ 175.12633 154.9
[M+K]+ 196.05567 136.0
[M+H-H2O]+ 140.08977 128.7
[M+HCOO]- 202.09071 149.0
[M+CH3COO]- 216.10636 177.3
[M+Na-2H]- 178.06718 135.0
[M]+ 157.09196 128.8
[M]- 157.09306 128.8
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