CID 88548109

1269026-22-3

Structural Information

Molecular Formula
C8H9BrN2O3
SMILES
CCOC(=O)C1=NC(=C(NC1=O)C)Br
InChI
InChI=1S/C8H9BrN2O3/c1-3-14-8(13)5-7(12)10-4(2)6(9)11-5/h3H2,1-2H3,(H,10,12)
InChIKey
POYHGPKBZHOUBJ-UHFFFAOYSA-N
Compound name
ethyl 5-bromo-6-methyl-2-oxo-1H-pyrazine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

259.97964 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.986916 141.8
[M+Na]+ 282.968858 154.9
[M-H]- 258.972364 145.0
[M+NH4]+ 278.013463 159.6
[M+K]+ 298.942798 143.8
[M+H-H2O]+ 242.976900 141.0
[M+HCOO]- 304.977841 160.3
[M+CH3COO]- 318.993491 189.4
[M+Na-2H]- 280.954306 148.1
[M]+ 259.97909142 162.3
[M]- 259.98018858 162.3
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