CID 122199571

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

Structural Information

Molecular Formula
C10H9BrN2
SMILES
C1CC1C2=CNC3=C2C=C(C=N3)Br
InChI
InChI=1S/C10H9BrN2/c11-7-3-8-9(6-1-2-6)5-13-10(8)12-4-7/h3-6H,1-2H2,(H,12,13)
InChIKey
QCLUDPYHOMETIY-UHFFFAOYSA-N
Compound name
5-bromo-3-cyclopropyl-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

235.9949 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.00218 147.0
[M+Na]+ 258.98412 162.7
[M-H]- 234.98762 154.7
[M+NH4]+ 254.02872 163.9
[M+K]+ 274.95806 149.4
[M+H-H2O]+ 218.99216 146.4
[M+HCOO]- 280.99310 167.5
[M+CH3COO]- 295.00875 161.9
[M+Na-2H]- 256.96957 154.9
[M]+ 235.99435 166.8
[M]- 235.99545 166.8
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