CID 23215429

4-[2-(benzyloxy)ethyl]morpholine

Structural Information

Molecular Formula

C₁₃H₁₉NO₂

SMILES

C1COCCN1CCOCC2=CC=CC=C2

InChI

InChI=1S/C13H19NO2/c1-2-4-13(5-3-1)12-16-11-8-14-6-9-15-10-7-14/h1-5H,6-12H2

InChIKey

ZFWRTOGKYLEMAB-UHFFFAOYSA-N

Compound name

4-(2-phenylmethoxyethyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 221.14159 Da
Monoisotopic Mass: 1.2
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]+	222.148866	150.8
[M+Na]+	244.130808	154.6
[M-H]-	220.134314	155.2
[M+NH4]+	239.175413	165.7
[M+K]+	260.104748	153.6
[M+H-H2O]+	204.138850	142.1
[M+HCOO]-	266.139791	169.3
[M+CH3COO]-	280.155441	186.7
[M+Na-2H]-	242.116256	157.1
[M]+	221.14104142	149.1
[M]-	221.14213858	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe