CID 82452123

3-(bromomethyl)-2-methyl-6-(propan-2-yl)pyridine

Structural Information

Molecular Formula
C10H14BrN
SMILES
CC1=C(C=CC(=N1)C(C)C)CBr
InChI
InChI=1S/C10H14BrN/c1-7(2)10-5-4-9(6-11)8(3)12-10/h4-5,7H,6H2,1-3H3
InChIKey
VUDXPTKVDHHSAS-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-2-methyl-6-propan-2-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.03096 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.038236 142.0
[M+Na]+ 250.020178 153.8
[M-H]- 226.023684 147.3
[M+NH4]+ 245.064783 163.1
[M+K]+ 265.994118 143.0
[M+H-H2O]+ 210.028220 141.9
[M+HCOO]- 272.029161 161.6
[M+CH3COO]- 286.044811 190.2
[M+Na-2H]- 248.005626 148.3
[M]+ 227.03041142 161.5
[M]- 227.03150858 161.5
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.