CID 45118738

86749-15-7

Structural Information

Molecular Formula
C10H14N2S2
SMILES
C1CCC(CC1)N2C=NC(=S)CC2=S
InChI
InChI=1S/C10H14N2S2/c13-9-6-10(14)12(7-11-9)8-4-2-1-3-5-8/h7-8H,1-6H2
InChIKey
PSGSIVIBHNIYJW-UHFFFAOYSA-N
Compound name
1-cyclohexylpyrimidine-4,6-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.05984 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.06712 146.6
[M+Na]+ 249.04906 153.0
[M-H]- 225.05256 149.3
[M+NH4]+ 244.09366 162.7
[M+K]+ 265.02300 147.5
[M+H-H2O]+ 209.05710 139.5
[M+HCOO]- 271.05804 152.5
[M+CH3COO]- 285.07369 156.8
[M+Na-2H]- 247.03451 145.2
[M]+ 226.05929 141.0
[M]- 226.06039 141.0
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.