CID 53407549

2-(6-bromopyridin-3-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C7H9BrN2
SMILES
C1=CC(=NC=C1CCN)Br
InChI
InChI=1S/C7H9BrN2/c8-7-2-1-6(3-4-9)5-10-7/h1-2,5H,3-4,9H2
InChIKey
FYYOUQWQNLWSBC-UHFFFAOYSA-N
Compound name
2-(6-bromopyridin-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

199.9949 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00218 135.0
[M+Na]+ 222.98412 138.5
[M+NH4]+ 218.02872 140.2
[M+K]+ 238.95806 138.0
[M-H]- 198.98762 136.1
[M+Na-2H]- 220.96957 139.4
[M]+ 199.99435 134.6
[M]- 199.99545 134.6
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