CID 249649

4-(4-methoxyphenoxy)butanoic acid

Structural Information

Molecular Formula

C₁₁H₁₄O₄

SMILES

COC1=CC=C(C=C1)OCCCC(=O)O

InChI

InChI=1S/C11H14O4/c1-14-9-4-6-10(7-5-9)15-8-2-3-11(12)13/h4-7H,2-3,8H2,1H3,(H,12,13)

InChIKey

WUHMCXAVTAKIAE-UHFFFAOYSA-N

Compound name

4-(4-methoxyphenoxy)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 28
Patents: 210.0892 Da
Monoisotopic Mass: 1.7
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]+	211.09648	145.2
[M+Na]+	233.07842	156.5
[M+NH4]+	228.12302	152.1
[M+K]+	249.05236	151.2
[M-H]-	209.08192	145.6
[M+Na-2H]-	231.06387	150.4
[M]+	210.08865	146.7
[M]-	210.08975	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe