CID 58730933

1187421-56-2

Structural Information

Molecular Formula
C8H9BrN2
SMILES
CN1CCC2=C1N=CC(=C2)Br
InChI
InChI=1S/C8H9BrN2/c1-11-3-2-6-4-7(9)5-10-8(6)11/h4-5H,2-3H2,1H3
InChIKey
CGKMNXFSODKNES-UHFFFAOYSA-N
Compound name
5-bromo-1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

211.9949 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.002176 137.9
[M+Na]+ 234.984118 151.3
[M-H]- 210.987624 143.0
[M+NH4]+ 230.028723 161.0
[M+K]+ 250.958058 140.7
[M+H-H2O]+ 194.992160 137.9
[M+HCOO]- 256.993101 157.4
[M+CH3COO]- 271.008751 153.6
[M+Na-2H]- 232.969566 145.7
[M]+ 211.99435142 156.2
[M]- 211.99544858 156.2
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