CID 456567

Schembl11018570

Structural Information

Molecular Formula

C₁₅H₁₉NO₃

SMILES

COC1=CC=C(C=C1)C(=O)C(=C)CN2CCOCC2

InChI

InChI=1S/C15H19NO3/c1-12(11-16-7-9-19-10-8-16)15(17)13-3-5-14(18-2)6-4-13/h3-6H,1,7-11H2,2H3

InChIKey

RYJORCANWRPFAD-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 261.1365 Da
Monoisotopic Mass: 1.6
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]+	262.143776	160.9
[M+Na]+	284.125718	164.9
[M-H]-	260.129224	165.6
[M+NH4]+	279.170323	174.1
[M+K]+	300.099658	163.6
[M+H-H2O]+	244.133760	152.4
[M+HCOO]-	306.134701	177.4
[M+CH3COO]-	320.150351	196.1
[M+Na-2H]-	282.111166	163.2
[M]+	261.13595142	159.2
[M]-	261.13704858	159.2

Literature stripe

literature stripe

Patent stripe

patents stripe