CID 408261

1020-16-2

Structural Information

Molecular Formula

C₁₃H₁₇NO₂

SMILES

C1COCCN1CCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H17NO2/c15-13(12-4-2-1-3-5-12)6-7-14-8-10-16-11-9-14/h1-5H,6-11H2

InChIKey

FUFXUDYTHVEYBS-UHFFFAOYSA-N

Compound name

3-morpholin-4-yl-1-phenylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 98
Patents: 219.12593 Da
Monoisotopic Mass: 1.2
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]+	220.13321	150.8
[M+Na]+	242.11515	163.2
[M+NH4]+	237.15975	159.0
[M+K]+	258.08909	156.5
[M-H]-	218.11865	155.5
[M+Na-2H]-	240.10060	157.8
[M]+	219.12538	153.8
[M]-	219.12648	153.8

Literature stripe

literature stripe

Patent stripe

patents stripe