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

56
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 139.7
[M+Na]+ 246.98412 154.1
[M-H]- 222.98762 144.0
[M+NH4]+ 242.02872 161.8
[M+K]+ 262.95806 141.9
[M+H-H2O]+ 206.99216 139.8
[M+HCOO]- 268.99310 160.1
[M+CH3COO]- 283.00875 155.3
[M+Na-2H]- 244.96957 148.5
[M]+ 223.99435 159.2
[M]- 223.99545 159.2
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