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

150
Patents

259.97964 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.98692 141.8
[M+Na]+ 282.96886 154.9
[M-H]- 258.97236 145.0
[M+NH4]+ 278.01346 159.6
[M+K]+ 298.94280 143.8
[M+H-H2O]+ 242.97690 141.0
[M+HCOO]- 304.97784 160.3
[M+CH3COO]- 318.99349 189.4
[M+Na-2H]- 280.95431 148.1
[M]+ 259.97909 162.3
[M]- 259.98019 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