CID 15373657

2-(1-bromoethyl)pyridine hydrobromide

Structural Information

Molecular Formula
C7H8BrN
SMILES
CC(C1=CC=CC=N1)Br
InChI
InChI=1S/C7H8BrN/c1-6(8)7-4-2-3-5-9-7/h2-6H,1H3
InChIKey
NXZNOPMZKPTBHC-UHFFFAOYSA-N
Compound name
2-(1-bromoethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

355
Patents

184.98401 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.991286 129.5
[M+Na]+ 207.973228 140.8
[M-H]- 183.976734 134.6
[M+NH4]+ 203.017833 151.6
[M+K]+ 223.947168 130.8
[M+H-H2O]+ 167.981270 129.7
[M+HCOO]- 229.982211 150.1
[M+CH3COO]- 243.997861 179.7
[M+Na-2H]- 205.958676 138.8
[M]+ 184.98346142 147.3
[M]- 184.98455858 147.3
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