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]+ 239.157656 155.3
[M+Na]+ 261.139598 161.1
[M-H]- 237.143104 157.1
[M+NH4]+ 256.184203 172.3
[M+K]+ 277.113538 156.4
[M+H-H2O]+ 221.147640 148.4
[M+HCOO]- 283.148581 163.8
[M+CH3COO]- 297.164231 189.4
[M+Na-2H]- 259.125046 154.7
[M]+ 238.14983142 149.3
[M]- 238.15092858 149.3
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.