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 138.3
[M+Na]+ 272.99978 150.3
[M-H]- 249.00328 145.1
[M+NH4]+ 268.04438 153.2
[M+K]+ 288.97372 141.2
[M+H-H2O]+ 233.00782 133.6
[M+HCOO]- 295.00876 156.8
[M+CH3COO]- 309.02441 153.0
[M+Na-2H]- 270.98523 146.2
[M]+ 250.01001 163.5
[M]- 250.01111 163.5
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