CID 96347

Ethyl 4-hydroxypyrimidine-5-carboxylate

Structural Information

Molecular Formula

C₇H₈N₂O₃

SMILES

CCOC(=O)C1=CN=CNC1=O

InChI

InChI=1S/C7H8N2O3/c1-2-12-7(11)5-3-8-4-9-6(5)10/h3-4H,2H2,1H3,(H,8,9,10)

InChIKey

PLMIZYMXBHSARX-UHFFFAOYSA-N

Compound name

ethyl 6-oxo-1H-pyrimidine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 107
Patents: 168.0535 Da
Monoisotopic Mass: -0.3
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]+	169.06078	133.0
[M+Na]+	191.04272	145.0
[M+NH4]+	186.08732	139.1
[M+K]+	207.01666	140.6
[M-H]-	167.04622	132.0
[M+Na-2H]-	189.02817	138.5
[M]+	168.05295	134.1
[M]-	168.05405	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe