CID 3325091

154108-33-5

Structural Information

Molecular Formula

C₁₄H₁₅NO₂

SMILES

COC1=CC=C(C=C1)OC2=CC=CC(=C2)CN

InChI

InChI=1S/C14H15NO2/c1-16-12-5-7-13(8-6-12)17-14-4-2-3-11(9-14)10-15/h2-9H,10,15H2,1H3

InChIKey

KUDOQUMNVIEJNA-UHFFFAOYSA-N

Compound name

[3-(4-methoxyphenoxy)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 229.11028 Da
Monoisotopic Mass: 2.2
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]+	230.11756	151.4
[M+Na]+	252.09950	165.7
[M+NH4]+	247.14410	160.3
[M+K]+	268.07344	157.9
[M-H]-	228.10300	156.8
[M+Na-2H]-	250.08495	161.1
[M]+	229.10973	155.1
[M]-	229.11083	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe