CID 84894

15400-53-0

Structural Information

Molecular Formula
C7H9N3O3
SMILES
CCOC(=O)C1=CN=C(NC1=O)N
InChI
InChI=1S/C7H9N3O3/c1-2-13-6(12)4-3-9-7(8)10-5(4)11/h3H,2H2,1H3,(H3,8,9,10,11)
InChIKey
HRRHGLKNOJHIGY-UHFFFAOYSA-N
Compound name
ethyl 2-amino-6-oxo-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

96
Patents

183.06439 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.071666 136.3
[M+Na]+ 206.053608 145.5
[M-H]- 182.057114 136.2
[M+NH4]+ 201.098213 152.6
[M+K]+ 222.027548 143.2
[M+H-H2O]+ 166.061650 129.2
[M+HCOO]- 228.062591 157.9
[M+CH3COO]- 242.078241 179.5
[M+Na-2H]- 204.039056 141.8
[M]+ 183.06384142 135.9
[M]- 183.06493858 135.9
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