CID 11116742

3-(2-bromoethyl)pyridine hydrobromide

Structural Information

Molecular Formula
C7H8BrN
SMILES
C1=CC(=CN=C1)CCBr
InChI
InChI=1S/C7H8BrN/c8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4H2
InChIKey
CKOBWUTTZOFETQ-UHFFFAOYSA-N
Compound name
3-(2-bromoethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

296
Patents

184.98401 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.99129 128.8
[M+Na]+ 207.97323 140.4
[M-H]- 183.97673 133.8
[M+NH4]+ 203.01783 151.0
[M+K]+ 223.94717 130.0
[M+H-H2O]+ 167.98127 129.0
[M+HCOO]- 229.98221 150.4
[M+CH3COO]- 243.99786 179.0
[M+Na-2H]- 205.95868 139.3
[M]+ 184.98346 147.3
[M]- 184.98456 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

No literature data available for this compound.

Patent stripe

patents stripe