CID 254245

1-cyclohexyl-5,6-dihydro-2,4(1h,3h)-pyrimidinedione

Structural Information

Molecular Formula
C10H16N2O2
SMILES
C1CCC(CC1)N2CCC(=O)NC2=O
InChI
InChI=1S/C10H16N2O2/c13-9-6-7-12(10(14)11-9)8-4-2-1-3-5-8/h8H,1-7H2,(H,11,13,14)
InChIKey
BIZDNILSHPALPE-UHFFFAOYSA-N
Compound name
1-cyclohexyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

196.12119 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.128466 146.0
[M+Na]+ 219.110408 150.0
[M-H]- 195.113914 147.2
[M+NH4]+ 214.155013 161.3
[M+K]+ 235.084348 147.1
[M+H-H2O]+ 179.118450 137.8
[M+HCOO]- 241.119391 159.6
[M+CH3COO]- 255.135041 179.7
[M+Na-2H]- 217.095856 148.1
[M]+ 196.12064142 136.4
[M]- 196.12173858 136.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe