CID 12346108

29884-24-0

Structural Information

Molecular Formula

C₁₄H₁₈O₄

SMILES

CCOC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C

InChI

InChI=1S/C14H18O4/c1-5-17-13(16)14(3,4)18-12-8-6-11(7-9-12)10(2)15/h6-9H,5H2,1-4H3

InChIKey

IWZIHRDNGZLBRJ-UHFFFAOYSA-N

Compound name

ethyl 2-(4-acetylphenoxy)-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 250.12051 Da
Monoisotopic Mass: 2.5
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]+	251.127786	155.7
[M+Na]+	273.109728	162.4
[M-H]-	249.113234	159.3
[M+NH4]+	268.154333	173.0
[M+K]+	289.083668	161.7
[M+H-H2O]+	233.117770	149.8
[M+HCOO]-	295.118711	176.5
[M+CH3COO]-	309.134361	195.3
[M+Na-2H]-	271.095176	159.2
[M]+	250.11996142	160.5
[M]-	250.12105858	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe