CID 4449183

Ethyl 4,6-dimethoxypyrimidine-2-carboxylate

Structural Information

Molecular Formula

C₉H₁₂N₂O₄

SMILES

CCOC(=O)C1=NC(=CC(=N1)OC)OC

InChI

InChI=1S/C9H12N2O4/c1-4-15-9(12)8-10-6(13-2)5-7(11-8)14-3/h5H,4H2,1-3H3

InChIKey

ODMOQVSDVCHMLF-UHFFFAOYSA-N

Compound name

ethyl 4,6-dimethoxypyrimidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 212.07971 Da
Monoisotopic Mass: 1.4
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]+	213.08699	144.6
[M+Na]+	235.06893	156.6
[M+NH4]+	230.11353	150.4
[M+K]+	251.04287	152.3
[M-H]-	211.07243	143.8
[M+Na-2H]-	233.05438	149.6
[M]+	212.07916	145.8
[M]-	212.08026	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe