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]+ 253.033486 149.7
[M+Na]+ 275.015428 162.9
[M-H]- 251.018934 153.8
[M+NH4]+ 270.060033 170.7
[M+K]+ 290.989368 150.7
[M+H-H2O]+ 235.023470 149.4
[M+HCOO]- 297.024411 168.4
[M+CH3COO]- 311.040061 164.3
[M+Na-2H]- 273.000876 156.2
[M]+ 252.02566142 169.3
[M]- 252.02675858 169.3
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.