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]+ 158.099786 134.0
[M+Na]+ 180.081728 138.9
[M-H]- 156.085234 136.5
[M+NH4]+ 175.126333 154.8
[M+K]+ 196.055668 136.4
[M+H-H2O]+ 140.089770 128.6
[M+HCOO]- 202.090711 148.6
[M+CH3COO]- 216.106361 178.4
[M+Na-2H]- 178.067176 133.9
[M]+ 157.09196142 128.7
[M]- 157.09305858 128.7
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