CID 45789981

2-bromo-3-methoxypyrazine

Structural Information

Molecular Formula
C5H5BrN2O
SMILES
COC1=NC=CN=C1Br
InChI
InChI=1S/C5H5BrN2O/c1-9-5-4(6)7-2-3-8-5/h2-3H,1H3
InChIKey
XOTABKNMXIIQMF-UHFFFAOYSA-N
Compound name
2-bromo-3-methoxypyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

187.95853 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.96581 125.0
[M+Na]+ 210.94775 138.2
[M-H]- 186.95125 129.3
[M+NH4]+ 205.99235 146.1
[M+K]+ 226.92169 128.6
[M+H-H2O]+ 170.95579 124.8
[M+HCOO]- 232.95673 146.3
[M+CH3COO]- 246.97238 178.7
[M+Na-2H]- 208.93320 136.0
[M]+ 187.95798 145.0
[M]- 187.95908 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