CID 420859

13552-45-9

Structural Information

Molecular Formula

C₁₄H₁₉NO₂

SMILES

CC1=CC=C(C=C1)C(=O)CCN2CCOCC2

InChI

InChI=1S/C14H19NO2/c1-12-2-4-13(5-3-12)14(16)6-7-15-8-10-17-11-9-15/h2-5H,6-11H2,1H3

InChIKey

JGGCAYFMVBIPQG-UHFFFAOYSA-N

Compound name

1-(4-methylphenyl)-3-morpholin-4-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 16
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	154.6
[M+Na]+	256.130808	159.1
[M-H]-	232.134314	159.4
[M+NH4]+	251.175413	169.2
[M+K]+	272.104748	157.6
[M+H-H2O]+	216.138850	146.2
[M+HCOO]-	278.139791	172.0
[M+CH3COO]-	292.155441	190.9
[M+Na-2H]-	254.116256	158.5
[M]+	233.14104142	152.4
[M]-	233.14213858	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe