CID 202719

Morpholine, 4-(3,3-diphenylallyl)-

Structural Information

Molecular Formula

C₁₉H₂₁NO

SMILES

C1COCCN1CC=C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H21NO/c1-3-7-17(8-4-1)19(18-9-5-2-6-10-18)11-12-20-13-15-21-16-14-20/h1-11H,12-16H2

InChIKey

JZYCTDYAHWPTHP-UHFFFAOYSA-N

Compound name

4-(3,3-diphenylprop-2-enyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 279.16232 Da
Monoisotopic Mass: 3.9
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]+	280.169596	167.6
[M+Na]+	302.151538	170.4
[M-H]-	278.155044	174.6
[M+NH4]+	297.196143	179.4
[M+K]+	318.125478	166.4
[M+H-H2O]+	262.159580	157.4
[M+HCOO]-	324.160521	184.4
[M+CH3COO]-	338.176171	177.0
[M+Na-2H]-	300.136986	171.8
[M]+	279.16177142	162.3
[M]-	279.16286858	162.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe