CID 53626297

4-[4-(benzyloxy)phenyl]oxan-4-amine hydrochloride

Structural Information

Molecular Formula

C₁₈H₂₁NO₂

SMILES

C1COCCC1(C2=CC=C(C=C2)OCC3=CC=CC=C3)N

InChI

InChI=1S/C18H21NO2/c19-18(10-12-20-13-11-18)16-6-8-17(9-7-16)21-14-15-4-2-1-3-5-15/h1-9H,10-14,19H2

InChIKey

LAUWCWSXZMUNOW-UHFFFAOYSA-N

Compound name

4-(4-phenylmethoxyphenyl)oxan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 283.15723 Da
Monoisotopic Mass: 2.4
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]+	284.164506	167.7
[M+Na]+	306.146448	171.9
[M-H]-	282.149954	176.5
[M+NH4]+	301.191053	182.6
[M+K]+	322.120388	169.1
[M+H-H2O]+	266.154490	158.6
[M+HCOO]-	328.155431	187.6
[M+CH3COO]-	342.171081	178.2
[M+Na-2H]-	304.131896	173.3
[M]+	283.15668142	163.6
[M]-	283.15777858	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe