CID 22419346

2-bromo-5-methylpyrazine

Structural Information

Molecular Formula
C5H5BrN2
SMILES
CC1=CN=C(C=N1)Br
InChI
InChI=1S/C5H5BrN2/c1-4-2-8-5(6)3-7-4/h2-3H,1H3
InChIKey
OBZRGWKVWAXNKZ-UHFFFAOYSA-N
Compound name
2-bromo-5-methylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

765
Patents

171.96361 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.970886 122.3
[M+Na]+ 194.952828 135.6
[M-H]- 170.956334 126.6
[M+NH4]+ 189.997433 144.0
[M+K]+ 210.926768 125.5
[M+H-H2O]+ 154.960870 122.3
[M+HCOO]- 216.961811 143.3
[M+CH3COO]- 230.977461 176.8
[M+Na-2H]- 192.938276 133.3
[M]+ 171.96306142 140.9
[M]- 171.96415858 140.9
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