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

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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 141.7
[M+Na]+ 250.02018 146.0
[M+NH4]+ 245.06478 147.0
[M+K]+ 265.99412 145.3
[M-H]- 226.02368 142.5
[M+Na-2H]- 248.00563 145.6
[M]+ 227.03041 141.5
[M]- 227.03151 141.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.