CID 227251

Methyl 3-amino-6-bromopyrazine-2-carboxylate

Structural Information

Molecular Formula
C6H6BrN3O2
SMILES
COC(=O)C1=NC(=CN=C1N)Br
InChI
InChI=1S/C6H6BrN3O2/c1-12-6(11)4-5(8)9-2-3(7)10-4/h2H,1H3,(H2,8,9)
InChIKey
CNXSIRHOIFRMOB-UHFFFAOYSA-N
Compound name
methyl 3-amino-6-bromopyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

658
Patents

230.96434 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.971616 135.7
[M+Na]+ 253.953558 148.2
[M-H]- 229.957064 139.7
[M+NH4]+ 248.998163 154.5
[M+K]+ 269.927498 137.8
[M+H-H2O]+ 213.961600 134.3
[M+HCOO]- 275.962541 156.3
[M+CH3COO]- 289.978191 187.7
[M+Na-2H]- 251.939006 143.4
[M]+ 230.96379142 154.6
[M]- 230.96488858 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe