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	137.3
[M+Na]+	237.98380	141.9
[M+NH4]+	233.02840	142.5
[M+K]+	253.95774	141.3
[M-H]-	213.98730	137.9
[M+Na-2H]-	235.96925	141.6
[M]+	214.99403	137.0
[M]-	214.99513	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe