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

40
Patents

211.9949 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.00218 137.9
[M+Na]+ 234.98412 151.3
[M-H]- 210.98762 143.0
[M+NH4]+ 230.02872 161.0
[M+K]+ 250.95806 140.7
[M+H-H2O]+ 194.99216 137.9
[M+HCOO]- 256.99310 157.4
[M+CH3COO]- 271.00875 153.6
[M+Na-2H]- 232.96957 145.7
[M]+ 211.99435 156.2
[M]- 211.99545 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