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 139.0
[M+Na]+ 234.98412 151.3
[M-H]- 210.98762 144.7
[M+NH4]+ 230.02872 162.5
[M+K]+ 250.95806 139.9
[M+H-H2O]+ 194.99216 138.8
[M+HCOO]- 256.99310 159.8
[M+CH3COO]- 271.00875 154.3
[M+Na-2H]- 232.96957 146.0
[M]+ 211.99435 154.9
[M]- 211.99545 154.9
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