CID 24903910

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

Structural Information

Molecular Formula
C10H12N2O3
SMILES
CCOC(=O)C1=CN=C(NC1=O)C2CC2
InChI
InChI=1S/C10H12N2O3/c1-2-15-10(14)7-5-11-8(6-3-4-6)12-9(7)13/h5-6H,2-4H2,1H3,(H,11,12,13)
InChIKey
DZSPYMMOWYDUES-UHFFFAOYSA-N
Compound name
ethyl 2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

208.0848 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.092076 149.7
[M+Na]+ 231.074018 160.2
[M-H]- 207.077524 153.6
[M+NH4]+ 226.118623 160.7
[M+K]+ 247.047958 155.8
[M+H-H2O]+ 191.082060 141.8
[M+HCOO]- 253.083001 170.3
[M+CH3COO]- 267.098651 185.9
[M+Na-2H]- 229.059466 154.1
[M]+ 208.08425142 153.0
[M]- 208.08534858 153.0
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