CID 214224

27922-17-4

Structural Information

Molecular Formula

C₁₅H₂₁NO₂

SMILES

CC1=CC(=C(C=C1)C(=O)CCN2CCOCC2)C

InChI

InChI=1S/C15H21NO2/c1-12-3-4-14(13(2)11-12)15(17)5-6-16-7-9-18-10-8-16/h3-4,11H,5-10H2,1-2H3

InChIKey

LGKGZQBYEDXJBZ-UHFFFAOYSA-N

Compound name

1-(2,4-dimethylphenyl)-3-morpholin-4-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 247.15723 Da
Monoisotopic Mass: 1.9
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]+	248.164506	159.0
[M+Na]+	270.146448	164.0
[M-H]-	246.149954	164.0
[M+NH4]+	265.191053	173.4
[M+K]+	286.120388	162.3
[M+H-H2O]+	230.154490	150.7
[M+HCOO]-	292.155431	176.1
[M+CH3COO]-	306.171081	195.1
[M+Na-2H]-	268.131896	161.7
[M]+	247.15668142	157.6
[M]-	247.15777858	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe