CID 6444484

Morpholine, n-(2-(2-(1-naphthyl)-4-hexenyloxy)ethyl)-, oxalate

Structural Information

Molecular Formula

C₂₂H₂₉NO₂

SMILES

C/C=C/CC(COCCN1CCOCC1)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H29NO2/c1-2-3-7-20(18-25-17-14-23-12-15-24-16-13-23)22-11-6-9-19-8-4-5-10-21(19)22/h2-6,8-11,20H,7,12-18H2,1H3/b3-2+

InChIKey

ISNVCPFNGRBABO-NSCUHMNNSA-N

Compound name

4-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 339.21982 Da
Monoisotopic Mass: 4.1
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]+	340.227096	185.8
[M+Na]+	362.209038	188.1
[M-H]-	338.212544	190.1
[M+NH4]+	357.253643	196.7
[M+K]+	378.182978	184.0
[M+H-H2O]+	322.217080	175.5
[M+HCOO]-	384.218021	200.1
[M+CH3COO]-	398.233671	211.8
[M+Na-2H]-	360.194486	188.2
[M]+	339.21927142	184.6
[M]-	339.22036858	184.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.