CID 19805495

2-(bromomethyl)-5-methylpyridine hydrobromide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

184.98401 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.99129 128.2
[M+Na]+ 207.97323 140.7
[M-H]- 183.97673 133.6
[M+NH4]+ 203.01783 150.8
[M+K]+ 223.94717 130.3
[M+H-H2O]+ 167.98127 128.6
[M+HCOO]- 229.98221 149.8
[M+CH3COO]- 243.99786 179.9
[M+Na-2H]- 205.95868 138.1
[M]+ 184.98346 147.1
[M]- 184.98456 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