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-bromo-3-pyridinyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

199.9949 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.002176 133.2
[M+Na]+ 222.984118 144.6
[M-H]- 198.987624 137.8
[M+NH4]+ 218.028723 154.3
[M+K]+ 238.958058 133.3
[M+H-H2O]+ 182.992160 132.5
[M+HCOO]- 244.993101 154.9
[M+CH3COO]- 259.008751 183.7
[M+Na-2H]- 220.969566 142.0
[M]+ 199.99435142 150.1
[M]- 199.99544858 150.1
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