CID 61869966

2126144-44-1

Structural Information

Molecular Formula
C8H15NS
SMILES
CC1CCC(CC1)C(=S)N
InChI
InChI=1S/C8H15NS/c1-6-2-4-7(5-3-6)8(9)10/h6-7H,2-5H2,1H3,(H2,9,10)
InChIKey
ZCWQWWREZCGLPD-UHFFFAOYSA-N
Compound name
4-methylcyclohexane-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

157.09251 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.09979 134.1
[M+Na]+ 180.08173 143.4
[M+NH4]+ 175.12633 143.6
[M+K]+ 196.05567 135.7
[M-H]- 156.08523 136.9
[M+Na-2H]- 178.06718 138.2
[M]+ 157.09196 136.5
[M]- 157.09306 136.5
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