CID 122198366

2172601-64-6

Structural Information

Molecular Formula

C₁₀H₁₄BrN

SMILES

CC(C)(C)C1=CN=CC(=C1)CBr

InChI

InChI=1S/C10H14BrN/c1-10(2,3)9-4-8(5-11)6-12-7-9/h4,6-7H,5H2,1-3H3

InChIKey

CYHOMXYVYANMLW-UHFFFAOYSA-N

Compound name

3-(bromomethyl)-5-tert-butylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.03096 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	228.03824	143.3
[M+Na]+	250.02018	147.4
[M+NH4]+	245.06478	148.5
[M+K]+	265.99412	146.8
[M-H]-	226.02368	143.7
[M+Na-2H]-	248.00563	147.6
[M]+	227.03041	143.0
[M]-	227.03151	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.