CID 12363082

Ethyl 2-ethyl-6-oxo-1,6-dihydropyrimidine-5-carboxylate

Structural Information

Molecular Formula
C9H12N2O3
SMILES
CCC1=NC=C(C(=O)N1)C(=O)OCC
InChI
InChI=1S/C9H12N2O3/c1-3-7-10-5-6(8(12)11-7)9(13)14-4-2/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKey
LGRBWCOYHPFTAF-UHFFFAOYSA-N
Compound name
ethyl 2-ethyl-6-oxo-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

196.0848 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 140.4
[M+Na]+ 219.07402 149.6
[M-H]- 195.07752 140.5
[M+NH4]+ 214.11862 156.8
[M+K]+ 235.04796 147.3
[M+H-H2O]+ 179.08206 133.4
[M+HCOO]- 241.08300 160.9
[M+CH3COO]- 255.09865 181.0
[M+Na-2H]- 217.05947 145.6
[M]+ 196.08425 142.5
[M]- 196.08535 142.5
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