CID 210167

21092-64-8

Structural Information

Molecular Formula

C₁₆H₂₃NO₃

SMILES

CCC(=O)C1=C(C=CC(=C1)C)OCCN2CCOCC2

InChI

InChI=1S/C16H23NO3/c1-3-15(18)14-12-13(2)4-5-16(14)20-11-8-17-6-9-19-10-7-17/h4-5,12H,3,6-11H2,1-2H3

InChIKey

HUNAYYRZBFWTMK-UHFFFAOYSA-N

Compound name

1-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.1678 Da
Monoisotopic Mass: 2.1
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]+	278.175076	166.7
[M+Na]+	300.157018	171.1
[M-H]-	276.160524	171.5
[M+NH4]+	295.201623	179.7
[M+K]+	316.130958	169.8
[M+H-H2O]+	260.165060	157.9
[M+HCOO]-	322.166001	183.6
[M+CH3COO]-	336.181651	200.2
[M+Na-2H]-	298.142466	168.8
[M]+	277.16725142	167.0
[M]-	277.16834858	167.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.