CID 97778172

2-bromo-5-methyl-5h-pyrrolo[2,3-b]pyrazine-7-carbaldehyde

Structural Information

Molecular Formula
C8H6BrN3O
SMILES
CN1C=C(C2=NC(=CN=C21)Br)C=O
InChI
InChI=1S/C8H6BrN3O/c1-12-3-5(4-13)7-8(12)10-2-6(9)11-7/h2-4H,1H3
InChIKey
SHJMGANSWDUDJY-UHFFFAOYSA-N
Compound name
2-bromo-5-methylpyrrolo[2,3-b]pyrazine-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.96942 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.97670 138.5
[M+Na]+ 261.95864 154.7
[M-H]- 237.96214 143.3
[M+NH4]+ 257.00324 159.6
[M+K]+ 277.93258 143.5
[M+H-H2O]+ 221.96668 138.0
[M+HCOO]- 283.96762 159.8
[M+CH3COO]- 297.98327 154.8
[M+Na-2H]- 259.94409 147.7
[M]+ 238.96887 161.0
[M]- 238.96997 161.0
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.

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No patent data available for this compound.