CID 22019786

93216-90-1

Structural Information

Molecular Formula

C₁₅H₂₁NO₃

SMILES

CC(C)(C(=O)C1=CC=C(C=C1)OC)N2CCOCC2

InChI

InChI=1S/C15H21NO3/c1-15(2,16-8-10-19-11-9-16)14(17)12-4-6-13(18-3)7-5-12/h4-7H,8-11H2,1-3H3

InChIKey

LYTGSAGFBXXLQF-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 148
Patents: 263.15213 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]+	264.159406	161.3
[M+Na]+	286.141348	165.7
[M-H]-	262.144854	166.3
[M+NH4]+	281.185953	174.8
[M+K]+	302.115288	165.1
[M+H-H2O]+	246.149390	153.3
[M+HCOO]-	308.150331	177.1
[M+CH3COO]-	322.165981	196.4
[M+Na-2H]-	284.126796	165.7
[M]+	263.15158142	160.5
[M]-	263.15267858	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe