CID 53399540

4-(bromomethyl)-2-methylpyridine hydrobromide

Structural Information

Molecular Formula
C7H8BrN
SMILES
CC1=NC=CC(=C1)CBr
InChI
InChI=1S/C7H8BrN/c1-6-4-7(5-8)2-3-9-6/h2-4H,5H2,1H3
InChIKey
MVVGGQWHXOPXRQ-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-2-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
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 128.2
[M+Na]+ 207.973228 140.7
[M-H]- 183.976734 133.6
[M+NH4]+ 203.017833 150.8
[M+K]+ 223.947168 130.3
[M+H-H2O]+ 167.981270 128.6
[M+HCOO]- 229.982211 149.8
[M+CH3COO]- 243.997861 179.9
[M+Na-2H]- 205.958676 138.1
[M]+ 184.98346142 147.1
[M]- 184.98455858 147.1
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

patents stripe