CID 456565

Schembl11019881

Structural Information

Molecular Formula

C₁₄H₁₆ClNO₂

SMILES

C=C(CN1CCOCC1)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H16ClNO2/c1-11(10-16-6-8-18-9-7-16)14(17)12-2-4-13(15)5-3-12/h2-5H,1,6-10H2

InChIKey

JLSLSMJRQKGINK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 265.08694 Da
Monoisotopic Mass: 2.3
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]+	266.09422	159.5
[M+Na]+	288.07616	164.8
[M-H]-	264.07966	164.3
[M+NH4]+	283.12076	173.6
[M+K]+	304.05010	161.4
[M+H-H2O]+	248.08420	152.0
[M+HCOO]-	310.08514	171.6
[M+CH3COO]-	324.10079	194.7
[M+Na-2H]-	286.06161	161.8
[M]+	265.08639	158.2
[M]-	265.08749	158.2

Literature stripe

literature stripe

Patent stripe

patents stripe