CID 131010031

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

Structural Information

Molecular Formula
C11H11BrN2
SMILES
C1CC(C1)C2=CNC3=C2C=C(C=N3)Br
InChI
InChI=1S/C11H11BrN2/c12-8-4-9-10(7-2-1-3-7)6-14-11(9)13-5-8/h4-7H,1-3H2,(H,13,14)
InChIKey
UWKJUSPPDKCQEU-UHFFFAOYSA-N
Compound name
5-bromo-3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

250.01056 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.01784 145.9
[M+Na]+ 272.99978 146.7
[M+NH4]+ 268.04438 148.0
[M+K]+ 288.97372 148.7
[M-H]- 249.00328 144.9
[M+Na-2H]- 270.98523 147.9
[M]+ 250.01001 143.6
[M]- 250.01111 143.6
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