CID 82013

Morpholine, 4-(4-methoxybenzoyl)-

Structural Information

Molecular Formula

C₁₂H₁₅NO₃

SMILES

COC1=CC=C(C=C1)C(=O)N2CCOCC2

InChI

InChI=1S/C12H15NO3/c1-15-11-4-2-10(3-5-11)12(14)13-6-8-16-9-7-13/h2-5H,6-9H2,1H3

InChIKey

NQXDFSXYFLBDHX-UHFFFAOYSA-N

Compound name

(4-methoxyphenyl)-morpholin-4-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 221.1052 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]+	222.11248	149.0
[M+Na]+	244.09442	161.5
[M+NH4]+	239.13902	156.8
[M+K]+	260.06836	155.8
[M-H]-	220.09792	153.2
[M+Na-2H]-	242.07987	155.6
[M]+	221.10465	151.9
[M]-	221.10575	151.9

Literature stripe

literature stripe

Patent stripe

patents stripe