CID 139023960

2137707-46-9

Structural Information

Molecular Formula
C11H13BrN2
SMILES
CCC(C)C1=CNC2=C1C=C(C=N2)Br
InChI
InChI=1S/C11H13BrN2/c1-3-7(2)10-6-14-11-9(10)4-8(12)5-13-11/h4-7H,3H2,1-2H3,(H,13,14)
InChIKey
XMPBMNMMJGHCGP-UHFFFAOYSA-N
Compound name
5-bromo-3-butan-2-yl-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.02621 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.03349 151.4
[M+Na]+ 275.01543 155.4
[M+NH4]+ 270.06003 156.2
[M+K]+ 290.98937 156.1
[M-H]- 251.01893 151.2
[M+Na-2H]- 273.00088 154.0
[M]+ 252.02566 150.7
[M]- 252.02676 150.7
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

No patent data available for this compound.