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]+ 228.03824 142.0
[M+Na]+ 250.02018 153.8
[M-H]- 226.02368 147.3
[M+NH4]+ 245.06478 163.1
[M+K]+ 265.99412 143.0
[M+H-H2O]+ 210.02822 141.9
[M+HCOO]- 272.02916 161.6
[M+CH3COO]- 286.04481 190.2
[M+Na-2H]- 248.00563 148.3
[M]+ 227.03041 161.5
[M]- 227.03151 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.