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

54
Patents

223.9949 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.002176 139.7
[M+Na]+ 246.984118 154.1
[M-H]- 222.987624 144.0
[M+NH4]+ 242.028723 161.8
[M+K]+ 262.958058 141.9
[M+H-H2O]+ 206.992160 139.8
[M+HCOO]- 268.993101 160.1
[M+CH3COO]- 283.008751 155.3
[M+Na-2H]- 244.969566 148.5
[M]+ 223.99435142 159.2
[M]- 223.99544858 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