CID 665021

6214-64-8

Structural Information

Molecular Formula
C8H10N2O3
SMILES
CCOC(=O)C1=C(NC(=O)N=C1)C
InChI
InChI=1S/C8H10N2O3/c1-3-13-7(11)6-4-9-8(12)10-5(6)2/h4H,3H2,1-2H3,(H,9,10,12)
InChIKey
UNZAXNKEIQRZBJ-UHFFFAOYSA-N
Compound name
ethyl 6-methyl-2-oxo-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

182.06914 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.076416 135.8
[M+Na]+ 205.058358 145.4
[M-H]- 181.061864 136.1
[M+NH4]+ 200.102963 152.8
[M+K]+ 221.032298 143.4
[M+H-H2O]+ 165.066400 129.0
[M+HCOO]- 227.067341 156.7
[M+CH3COO]- 241.082991 178.0
[M+Na-2H]- 203.043806 141.5
[M]+ 182.06859142 137.5
[M]- 182.06968858 137.5
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