CID 2392387

4-(4-ethoxyphenoxy)butanoic acid

Structural Information

Molecular Formula

C₁₂H₁₆O₄

SMILES

CCOC1=CC=C(C=C1)OCCCC(=O)O

InChI

InChI=1S/C12H16O4/c1-2-15-10-5-7-11(8-6-10)16-9-3-4-12(13)14/h5-8H,2-4,9H2,1H3,(H,13,14)

InChIKey

ZXZNQXICNJXQOQ-UHFFFAOYSA-N

Compound name

4-(4-ethoxyphenoxy)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 224.10486 Da
Monoisotopic Mass: 2.1
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]+	225.11214	149.7
[M+Na]+	247.09408	160.7
[M+NH4]+	242.13868	156.4
[M+K]+	263.06802	155.3
[M-H]-	223.09758	150.0
[M+Na-2H]-	245.07953	154.6
[M]+	224.10431	151.1
[M]-	224.10541	151.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.