CID 53403578

910391-46-7

Structural Information

Molecular Formula
C7H9BrN2
SMILES
C1=CN=CC(=C1CCN)Br
InChI
InChI=1S/C7H9BrN2/c8-7-5-10-4-2-6(7)1-3-9/h2,4-5H,1,3,9H2
InChIKey
NXXHWYYVIGHMRR-UHFFFAOYSA-N
Compound name
2-(3-bromo-4-pyridinyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.