CID 876380

148183-90-8

Structural Information

Molecular Formula

C₁₄H₁₉NO₃

SMILES

CC1=CC(=C(C=C1)OCC(=O)N2CCOCC2)C

InChI

InChI=1S/C14H19NO3/c1-11-3-4-13(12(2)9-11)18-10-14(16)15-5-7-17-8-6-15/h3-4,9H,5-8,10H2,1-2H3

InChIKey

SPKPARPPRVMDOW-UHFFFAOYSA-N

Compound name

2-(2,4-dimethylphenoxy)-1-morpholin-4-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 249.13649 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]+	250.143766	157.6
[M+Na]+	272.125708	163.1
[M-H]-	248.129214	162.9
[M+NH4]+	267.170313	172.0
[M+K]+	288.099648	162.2
[M+H-H2O]+	232.133750	149.4
[M+HCOO]-	294.134691	175.3
[M+CH3COO]-	308.150341	193.5
[M+Na-2H]-	270.111156	160.9
[M]+	249.13594142	157.2
[M]-	249.13703858	157.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.