CID 11229587

3-bromo-1-methyl-1h-pyrrolo[2,3-b]pyridine

Structural Information

Molecular Formula
C8H7BrN2
SMILES
CN1C=C(C2=C1N=CC=C2)Br
InChI
InChI=1S/C8H7BrN2/c1-11-5-7(9)6-3-2-4-10-8(6)11/h2-5H,1H3
InChIKey
GBHFSEKDEABVOP-UHFFFAOYSA-N
Compound name
3-bromo-1-methylpyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

209.97926 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.98654 137.9
[M+Na]+ 232.96848 143.3
[M+NH4]+ 228.01308 143.6
[M+K]+ 248.94242 143.7
[M-H]- 208.97198 138.5
[M+Na-2H]- 230.95393 142.2
[M]+ 209.97871 137.7
[M]- 209.97981 137.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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