CID 21882855

848696-31-1

Structural Information

Molecular Formula

C₈H₁₀BrNO

SMILES

CC1=NC(=C(C=C1)OC)CBr

InChI

InChI=1S/C8H10BrNO/c1-6-3-4-8(11-2)7(5-9)10-6/h3-4H,5H2,1-2H3

InChIKey

KEIPEIIYYIDMEF-UHFFFAOYSA-N

Compound name

2-(bromomethyl)-3-methoxy-6-methylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 214.99458 Da
Monoisotopic Mass: 1.8
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]+	216.00186	135.2
[M+Na]+	237.98380	148.1
[M-H]-	213.98730	140.8
[M+NH4]+	233.02840	156.8
[M+K]+	253.95774	137.8
[M+H-H2O]+	197.99184	135.3
[M+HCOO]-	259.99278	156.7
[M+CH3COO]-	274.00843	185.6
[M+Na-2H]-	235.96925	143.8
[M]+	214.99403	156.1
[M]-	214.99513	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe