CID 12690728

3-(bromomethyl)-2-methylpyridine

Structural Information

Molecular Formula
C7H8BrN
SMILES
CC1=C(C=CC=N1)CBr
InChI
InChI=1S/C7H8BrN/c1-6-7(5-8)3-2-4-9-6/h2-4H,5H2,1H3
InChIKey
CCEUJKKUJAYIAM-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-2-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
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 129.8
[M+Na]+ 207.97323 134.6
[M+NH4]+ 203.01783 135.6
[M+K]+ 223.94717 133.7
[M-H]- 183.97673 130.9
[M+Na-2H]- 205.95868 135.0
[M]+ 184.98346 129.7
[M]- 184.98456 129.7
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