CID 141761812

2-(bromomethyl)-6-tert-butylpyridine

Structural Information

Molecular Formula
C10H14BrN
SMILES
CC(C)(C)C1=CC=CC(=N1)CBr
InChI
InChI=1S/C10H14BrN/c1-10(2,3)9-6-4-5-8(7-11)12-9/h4-6H,7H2,1-3H3
InChIKey
YSSLSODBAGMSOF-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-6-tert-butylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.03096 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.038236 143.5
[M+Na]+ 250.020178 155.3
[M-H]- 226.023684 148.8
[M+NH4]+ 245.064783 164.7
[M+K]+ 265.994118 144.4
[M+H-H2O]+ 210.028220 143.8
[M+HCOO]- 272.029161 162.7
[M+CH3COO]- 286.044811 188.1
[M+Na-2H]- 248.005626 152.2
[M]+ 227.03041142 162.8
[M]- 227.03150858 162.8
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

No patent data available for this compound.