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

3
Patents

250.01056 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.017836 138.3
[M+Na]+ 272.999778 150.3
[M-H]- 249.003284 145.1
[M+NH4]+ 268.044383 153.2
[M+K]+ 288.973718 141.2
[M+H-H2O]+ 233.007820 133.6
[M+HCOO]- 295.008761 156.8
[M+CH3COO]- 309.024411 153.0
[M+Na-2H]- 270.985226 146.2
[M]+ 250.01001142 163.5
[M]- 250.01110858 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