CID 66869685

Ethyl 5-ethoxypyrazine-2-carboxylate

Structural Information

Molecular Formula

C₉H₁₂N₂O₃

SMILES

CCOC1=NC=C(N=C1)C(=O)OCC

InChI

InChI=1S/C9H12N2O3/c1-3-13-8-6-10-7(5-11-8)9(12)14-4-2/h5-6H,3-4H2,1-2H3

InChIKey

BAZQNLGMKSJRSN-UHFFFAOYSA-N

Compound name

ethyl 5-ethoxypyrazine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
Patents: 196.0848 Da
Monoisotopic Mass: 1.0
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]+	197.09208	141.7
[M+Na]+	219.07402	153.9
[M+NH4]+	214.11862	148.1
[M+K]+	235.04796	148.8
[M-H]-	195.07752	141.4
[M+Na-2H]-	217.05947	147.5
[M]+	196.08425	143.1
[M]-	196.08535	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe