CID 564209

2-(bromomethyl)pyridine hydrobromide

Structural Information

Molecular Formula
C6H6BrN
SMILES
C1=CC=NC(=C1)CBr
InChI
InChI=1S/C6H6BrN/c7-5-6-3-1-2-4-8-6/h1-4H,5H2
InChIKey
OFPWMRMIFDHXFE-UHFFFAOYSA-N
Compound name
2-(bromomethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4872
Patents

170.96835 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.97563 125.8
[M+Na]+ 193.95757 130.5
[M+NH4]+ 189.00217 131.8
[M+K]+ 209.93151 129.6
[M-H]- 169.96107 126.9
[M+Na-2H]- 191.94302 131.5
[M]+ 170.96780 125.7
[M]- 170.96890 125.7
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