CID 3021423

Morpholine, 4-benzyl-2-(benzyloxy)-, hydrochloride

Structural Information

Molecular Formula

C₁₈H₂₁NO₂

SMILES

C1COC(CN1CC2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C18H21NO2/c1-3-7-16(8-4-1)13-19-11-12-20-18(14-19)21-15-17-9-5-2-6-10-17/h1-10,18H,11-15H2

InChIKey

VXRVKSMHBLRCOB-UHFFFAOYSA-N

Compound name

4-benzyl-2-phenylmethoxymorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 283.15723 Da
Monoisotopic Mass: 2.9
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	167.1
[M+Na]+	306.146448	171.0
[M-H]-	282.149954	174.5
[M+NH4]+	301.191053	179.1
[M+K]+	322.120388	168.0
[M+H-H2O]+	266.154490	156.8
[M+HCOO]-	328.155431	185.2
[M+CH3COO]-	342.171081	177.2
[M+Na-2H]-	304.131896	172.3
[M]+	283.15668142	164.6
[M]-	283.15777858	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe