CID 121160

1688-45-5

Structural Information

Molecular Formula

C₁₄H₁₉NO₃

SMILES

COC1=CC=C(C=C1)C(=O)CCN2CCOCC2

InChI

InChI=1S/C14H19NO3/c1-17-13-4-2-12(3-5-13)14(16)6-7-15-8-10-18-11-9-15/h2-5H,6-11H2,1H3

InChIKey

MARDRZQLSPCWMG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 10
Patents: 249.13649 Da
Monoisotopic Mass: 1.2
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]+	250.143766	157.6
[M+Na]+	272.125708	161.9
[M-H]-	248.129214	162.4
[M+NH4]+	267.170313	171.4
[M+K]+	288.099648	161.0
[M+H-H2O]+	232.133750	149.0
[M+HCOO]-	294.134691	175.2
[M+CH3COO]-	308.150341	193.0
[M+Na-2H]-	270.111156	161.5
[M]+	249.13594142	156.8
[M]-	249.13703858	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe