CID 2054351

Akos024405806

Structural Information

Molecular Formula

C₁₆H₁₉NO₂

SMILES

C1COCCN1CCOC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C16H19NO2/c1-2-4-15-13-16(6-5-14(15)3-1)19-12-9-17-7-10-18-11-8-17/h1-6,13H,7-12H2

InChIKey

WLSIZVIXABCINF-UHFFFAOYSA-N

Compound name

4-(2-naphthalen-2-yloxyethyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 8
Patents: 257.14157 Da
Monoisotopic Mass: 3.1
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]+	258.14885	158.6
[M+Na]+	280.13079	163.6
[M-H]-	256.13429	164.1
[M+NH4]+	275.17539	173.1
[M+K]+	296.10473	161.0
[M+H-H2O]+	240.13883	149.4
[M+HCOO]-	302.13977	175.9
[M+CH3COO]-	316.15542	169.4
[M+Na-2H]-	278.11624	165.6
[M]+	257.14102	156.9
[M]-	257.14212	156.9

Literature stripe

literature stripe

Patent stripe

patents stripe