CID 46937073

4-[(5-methoxy-2-methylphenoxy)methyl]pyridine

Structural Information

Molecular Formula

C₁₄H₁₅NO₂

SMILES

CC1=C(C=C(C=C1)OC)OCC2=CC=NC=C2

InChI

InChI=1S/C14H15NO2/c1-11-3-4-13(16-2)9-14(11)17-10-12-5-7-15-8-6-12/h3-9H,10H2,1-2H3

InChIKey

MBHBRRBLXCXQKV-UHFFFAOYSA-N

Compound name

4-[(5-methoxy-2-methylphenoxy)methyl]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 229.11028 Da
Monoisotopic Mass: 3.2
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]+	230.117556	150.6
[M+Na]+	252.099498	159.0
[M-H]-	228.103004	156.2
[M+NH4]+	247.144103	167.4
[M+K]+	268.073438	156.1
[M+H-H2O]+	212.107540	142.3
[M+HCOO]-	274.108481	174.1
[M+CH3COO]-	288.124131	191.0
[M+Na-2H]-	250.084946	157.3
[M]+	229.10973142	153.8
[M]-	229.11082858	153.8

Literature stripe

literature stripe

Patent stripe

patents stripe