CID 38362

39910-98-0

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

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

InChI

InChI=1S/C12H15NO2/c1-10(14)11-2-4-12(5-3-11)13-6-8-15-9-7-13/h2-5H,6-9H2,1H3

InChIKey

AKQWEDMTPCAESO-UHFFFAOYSA-N

Compound name

1-(4-morpholin-4-ylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 939
Patents: 205.11028 Da
Monoisotopic Mass: 1.0
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]+	206.11756	145.3
[M+Na]+	228.09950	150.6
[M-H]-	204.10300	150.5
[M+NH4]+	223.14410	161.1
[M+K]+	244.07344	149.7
[M+H-H2O]+	188.10754	137.4
[M+HCOO]-	250.10848	163.4
[M+CH3COO]-	264.12413	184.9
[M+Na-2H]-	226.08495	150.3
[M]+	205.10973	142.4
[M]-	205.11083	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe