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

82
Patents

196.0848 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.092076 140.9
[M+Na]+ 219.074018 149.2
[M-H]- 195.077524 141.9
[M+NH4]+ 214.118623 157.7
[M+K]+ 235.047958 148.5
[M+H-H2O]+ 179.082060 133.2
[M+HCOO]- 241.083001 162.7
[M+CH3COO]- 255.098651 183.2
[M+Na-2H]- 217.059466 147.3
[M]+ 196.08425142 145.1
[M]- 196.08534858 145.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe