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: 7
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]+	264.12303	159.5
[M+Na]+	286.10497	170.7
[M+NH4]+	281.14957	165.9
[M+K]+	302.07891	165.9
[M-H]-	262.10847	162.6
[M+Na-2H]-	284.09042	164.7
[M]+	263.11520	161.7
[M]-	263.11630	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe