CID 19831

3935-01-1

Structural Information

Molecular Formula

C₁₄H₁₉NO₂

SMILES

C1COCCN1CCCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H19NO2/c16-14(13-5-2-1-3-6-13)7-4-8-15-9-11-17-12-10-15/h1-3,5-6H,4,7-12H2

InChIKey

NGGBBEAUVRBDHF-UHFFFAOYSA-N

Compound name

4-morpholin-4-yl-1-phenylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 147
Patents: 233.14159 Da
Monoisotopic Mass: 1.6
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]+	234.148866	154.7
[M+Na]+	256.130808	158.2
[M-H]-	232.134314	159.0
[M+NH4]+	251.175413	168.9
[M+K]+	272.104748	156.7
[M+H-H2O]+	216.138850	146.1
[M+HCOO]-	278.139791	172.1
[M+CH3COO]-	292.155441	189.7
[M+Na-2H]-	254.116256	159.3
[M]+	233.14104142	152.0
[M]-	233.14213858	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe