CID 6454826

Einecs 264-735-0

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₃

SMILES

CCOC(=O)C(C)C(=O)C1=NC=CN=C1

InChI

InChI=1S/C10H12N2O3/c1-3-15-10(14)7(2)9(13)8-6-11-4-5-12-8/h4-7H,3H2,1-2H3

InChIKey

OZAKNQDWDCGXHG-UHFFFAOYSA-N

Compound name

ethyl 2-methyl-3-oxo-3-pyrazin-2-ylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 208.0848 Da
Monoisotopic Mass: 0.8
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]+	209.092076	144.3
[M+Na]+	231.074018	151.1
[M-H]-	207.077524	145.1
[M+NH4]+	226.118623	160.1
[M+K]+	247.047958	150.5
[M+H-H2O]+	191.082060	136.6
[M+HCOO]-	253.083001	164.1
[M+CH3COO]-	267.098651	185.9
[M+Na-2H]-	229.059466	148.6
[M]+	208.08425142	146.6
[M]-	208.08534858	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe