CID 19831

Gamma-morpholino-butyrophenone

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: 137
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]+	234.14887	154.7
[M+Na]+	256.13081	158.2
[M-H]-	232.13431	159.0
[M+NH4]+	251.17541	168.9
[M+K]+	272.10475	156.7
[M+H-H2O]+	216.13885	146.1
[M+HCOO]-	278.13979	172.1
[M+CH3COO]-	292.15544	189.7
[M+Na-2H]-	254.11626	159.3
[M]+	233.14104	152.0
[M]-	233.14214	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe