CID 53403682

39741-47-4

Structural Information

Molecular Formula
C7H9BrN2
SMILES
C1=C(C=NC=C1Br)CCN
InChI
InChI=1S/C7H9BrN2/c8-7-3-6(1-2-9)4-10-5-7/h3-5H,1-2,9H2
InChIKey
ROSYCOHYDFZWEV-UHFFFAOYSA-N
Compound name
2-(5-bromopyridin-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

199.9949 Da
Monoisotopic Mass

0.9
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

literature stripe

Patent stripe

patents stripe