CID 3021669

Uracil, 3,6-dimethyl-5-ethyl-

Structural Information

Molecular Formula
C8H12N2O2
SMILES
CCC1=C(NC(=O)N(C1=O)C)C
InChI
InChI=1S/C8H12N2O2/c1-4-6-5(2)9-8(12)10(3)7(6)11/h4H2,1-3H3,(H,9,12)
InChIKey
OOKYGLJIVQNEGX-UHFFFAOYSA-N
Compound name
5-ethyl-3,6-dimethyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

168.08987 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.097146 132.2
[M+Na]+ 191.079088 144.0
[M-H]- 167.082594 133.1
[M+NH4]+ 186.123693 150.5
[M+K]+ 207.053028 140.9
[M+H-H2O]+ 151.087130 126.1
[M+HCOO]- 213.088071 153.8
[M+CH3COO]- 227.103721 178.2
[M+Na-2H]- 189.064536 137.6
[M]+ 168.08932142 134.0
[M]- 168.09041858 134.0
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

patents stripe