CID 71217263

2126177-76-0

Structural Information

Molecular Formula
C8H9BrN2
SMILES
C1CC2=C(C1N)N=CC(=C2)Br
InChI
InChI=1S/C8H9BrN2/c9-6-3-5-1-2-7(10)8(5)11-4-6/h3-4,7H,1-2,10H2
InChIKey
XOOHYQNMUBSEIR-UHFFFAOYSA-N
Compound name
3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

211.9949 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.00218 141.1
[M+Na]+ 234.98412 143.7
[M+NH4]+ 230.02872 146.8
[M+K]+ 250.95806 144.7
[M-H]- 210.98762 142.1
[M+Na-2H]- 232.96957 143.5
[M]+ 211.99435 140.4
[M]- 211.99545 140.4
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