CID 246001

6-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C6H8N2O2
SMILES
CCC1=CC(=O)NC(=O)N1
InChI
InChI=1S/C6H8N2O2/c1-2-4-3-5(9)8-6(10)7-4/h3H,2H2,1H3,(H2,7,8,9,10)
InChIKey
JKUXMZDHLUUPGG-UHFFFAOYSA-N
Compound name
6-ethyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

101
Patents

140.05858 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.06586 125.1
[M+Na]+ 163.04780 135.4
[M-H]- 139.05130 124.1
[M+NH4]+ 158.09240 143.1
[M+K]+ 179.02174 131.9
[M+H-H2O]+ 123.05584 119.0
[M+HCOO]- 185.05678 145.8
[M+CH3COO]- 199.07243 167.2
[M+Na-2H]- 161.03325 132.4
[M]+ 140.05803 123.4
[M]- 140.05913 123.4
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