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 134.0
[M+Na]+ 180.08173 138.9
[M-H]- 156.08523 136.5
[M+NH4]+ 175.12633 154.8
[M+K]+ 196.05567 136.4
[M+H-H2O]+ 140.08977 128.6
[M+HCOO]- 202.09071 148.6
[M+CH3COO]- 216.10636 178.4
[M+Na-2H]- 178.06718 133.9
[M]+ 157.09196 128.7
[M]- 157.09306 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