CID 15114439

5-bromo-2,3-dimethoxypyrazine

Structural Information

Molecular Formula
C6H7BrN2O2
SMILES
COC1=NC=C(N=C1OC)Br
InChI
InChI=1S/C6H7BrN2O2/c1-10-5-6(11-2)9-4(7)3-8-5/h3H,1-2H3
InChIKey
UANBJBLRCNEFTC-UHFFFAOYSA-N
Compound name
5-bromo-2,3-dimethoxypyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

217.96909 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.97637 131.8
[M+Na]+ 240.95831 145.3
[M-H]- 216.96181 136.3
[M+NH4]+ 236.00291 151.9
[M+K]+ 256.93225 135.8
[M+H-H2O]+ 200.96635 131.2
[M+HCOO]- 262.96729 152.9
[M+CH3COO]- 276.98294 184.4
[M+Na-2H]- 238.94376 141.5
[M]+ 217.96854 153.8
[M]- 217.96964 153.8
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