CID 3034304

18957-54-5

Structural Information

Molecular Formula
C13H22N2S
SMILES
CC1=CC(NC(=S)N1C2CCCCC2)(C)C
InChI
InChI=1S/C13H22N2S/c1-10-9-13(2,3)14-12(16)15(10)11-7-5-4-6-8-11/h9,11H,4-8H2,1-3H3,(H,14,16)
InChIKey
WGGCPTVCEJTPMF-UHFFFAOYSA-N
Compound name
3-cyclohexyl-4,6,6-trimethyl-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.15038 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15766 157.1
[M+Na]+ 261.13960 168.4
[M+NH4]+ 256.18420 167.1
[M+K]+ 277.11354 157.5
[M-H]- 237.14310 160.1
[M+Na-2H]- 259.12505 163.2
[M]+ 238.14983 160.1
[M]- 238.15093 160.1
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.