CID 34762

29942-00-5

Structural Information

Molecular Formula

C₁₄H₁₇NO₄

SMILES

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

InChI

InChI=1S/C14H17NO4/c1-11(16)12-2-4-13(5-3-12)19-10-14(17)15-6-8-18-9-7-15/h2-5H,6-10H2,1H3

InChIKey

IEYNXHCBGBVCPE-UHFFFAOYSA-N

Compound name

2-(4-acetylphenoxy)-1-morpholin-4-ylethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9
Patents: 263.11575 Da
Monoisotopic Mass: 0.4
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]+	264.123026	159.3
[M+Na]+	286.104968	163.7
[M-H]-	262.108474	164.3
[M+NH4]+	281.149573	172.4
[M+K]+	302.078908	163.3
[M+H-H2O]+	246.113010	150.8
[M+HCOO]-	308.113951	176.4
[M+CH3COO]-	322.129601	194.6
[M+Na-2H]-	284.090416	162.2
[M]+	263.11520142	158.6
[M]-	263.11629858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe