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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 140.9
[M+Na]+ 219.07402 149.2
[M-H]- 195.07752 141.9
[M+NH4]+ 214.11862 157.7
[M+K]+ 235.04796 148.5
[M+H-H2O]+ 179.08206 133.2
[M+HCOO]- 241.08300 162.7
[M+CH3COO]- 255.09865 183.2
[M+Na-2H]- 217.05947 147.3
[M]+ 196.08425 145.1
[M]- 196.08535 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