CID 268475

4'-morpholinopropiophenone

Structural Information

Molecular Formula

C₁₃H₁₇NO₂

SMILES

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

InChI

InChI=1S/C13H17NO2/c1-2-13(15)11-3-5-12(6-4-11)14-7-9-16-10-8-14/h3-6H,2,7-10H2,1H3

InChIKey

ZEFQETIGOMAQDT-UHFFFAOYSA-N

Compound name

1-(4-morpholin-4-ylphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1472
Patents: 219.12593 Da
Monoisotopic Mass: 1.8
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]+	220.133206	149.9
[M+Na]+	242.115148	154.9
[M-H]-	218.118654	155.0
[M+NH4]+	237.159753	165.1
[M+K]+	258.089088	153.6
[M+H-H2O]+	202.123190	141.8
[M+HCOO]-	264.124131	167.7
[M+CH3COO]-	278.139781	187.9
[M+Na-2H]-	240.100596	154.4
[M]+	219.12538142	147.4
[M]-	219.12647858	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe