CID 45051482

N-cyclohexyl-n'-(3-methyl-2-butenoyl)thiourea

Structural Information

Molecular Formula
C12H20N2OS
SMILES
CC(=CC(=O)NC(=S)NC1CCCCC1)C
InChI
InChI=1S/C12H20N2OS/c1-9(2)8-11(15)14-12(16)13-10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3,(H2,13,14,15,16)
InChIKey
BUMSQTGQEWSDSX-UHFFFAOYSA-N
Compound name
N-(cyclohexylcarbamothioyl)-3-methylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.12964 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13692 157.8
[M+Na]+ 263.11886 163.7
[M+NH4]+ 258.16346 164.8
[M+K]+ 279.09280 157.1
[M-H]- 239.12236 159.1
[M+Na-2H]- 261.10431 159.9
[M]+ 240.12909 158.9
[M]- 240.13019 158.9
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

No patent data available for this compound.