CID 3021669

3,6-dimethyl-5-ethyluracil

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]+ 169.09715 132.2
[M+Na]+ 191.07909 144.0
[M-H]- 167.08259 133.1
[M+NH4]+ 186.12369 150.5
[M+K]+ 207.05303 140.9
[M+H-H2O]+ 151.08713 126.1
[M+HCOO]- 213.08807 153.8
[M+CH3COO]- 227.10372 178.2
[M+Na-2H]- 189.06454 137.6
[M]+ 168.08932 134.0
[M]- 168.09042 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