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

1
Annotation Hits: 1
References: 84
Patents: 183.06439 Da
Monoisotopic Mass: -0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	184.07167	136.8
[M+Na]+	206.05361	147.5
[M+NH4]+	201.09821	142.1
[M+K]+	222.02755	144.0
[M-H]-	182.05711	135.8
[M+Na-2H]-	204.03906	141.2
[M]+	183.06384	137.5
[M]-	183.06494	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe