CID 123997708

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

Structural Information

Molecular Formula
C9H9BrN2
SMILES
CCC1=CNC2=C1C=C(C=N2)Br
InChI
InChI=1S/C9H9BrN2/c1-2-6-4-11-9-8(6)3-7(10)5-12-9/h3-5H,2H2,1H3,(H,11,12)
InChIKey
BUDFNLMBEZTNQK-UHFFFAOYSA-N
Compound name
5-bromo-3-ethyl-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

223.9949 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.00218 143.6
[M+Na]+ 246.98412 148.2
[M+NH4]+ 242.02872 148.8
[M+K]+ 262.95806 148.6
[M-H]- 222.98762 143.6
[M+Na-2H]- 244.96957 147.0
[M]+ 223.99435 143.1
[M]- 223.99545 143.1
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