CID 13319712

2-bromo-6-methoxypyrazine

Structural Information

Molecular Formula
C5H5BrN2O
SMILES
COC1=CN=CC(=N1)Br
InChI
InChI=1S/C5H5BrN2O/c1-9-5-3-7-2-4(6)8-5/h2-3H,1H3
InChIKey
FUBVVTKSPREWBI-UHFFFAOYSA-N
Compound name
2-bromo-6-methoxypyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

166
Patents

187.95853 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.965806 125.0
[M+Na]+ 210.947748 138.2
[M-H]- 186.951254 129.3
[M+NH4]+ 205.992353 146.1
[M+K]+ 226.921688 128.6
[M+H-H2O]+ 170.955790 124.8
[M+HCOO]- 232.956731 146.3
[M+CH3COO]- 246.972381 178.7
[M+Na-2H]- 208.933196 136.0
[M]+ 187.95798142 145.0
[M]- 187.95907858 145.0
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