CID 15114

4-benzoylmorpholine

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

C1COCCN1C(=O)C2=CC=CC=C2

InChI

InChI=1S/C11H13NO2/c13-11(10-4-2-1-3-5-10)12-6-8-14-9-7-12/h1-5H,6-9H2

InChIKey

FLCWYEUDIOQXEB-UHFFFAOYSA-N

Compound name

morpholin-4-yl(phenyl)methanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 1156
Patents: 191.09464 Da
Monoisotopic Mass: 0.2
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]+	192.10192	141.0
[M+Na]+	214.08386	145.9
[M-H]-	190.08736	146.0
[M+NH4]+	209.12846	157.1
[M+K]+	230.05780	145.2
[M+H-H2O]+	174.09190	133.1
[M+HCOO]-	236.09284	159.5
[M+CH3COO]-	250.10849	180.1
[M+Na-2H]-	212.06931	147.3
[M]+	191.09409	137.3
[M]-	191.09519	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe