CID 65364658

4-(ethoxymethoxy)benzoic acid

Structural Information

Molecular Formula

C₁₀H₁₂O₄

SMILES

CCOCOC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C10H12O4/c1-2-13-7-14-9-5-3-8(4-6-9)10(11)12/h3-6H,2,7H2,1H3,(H,11,12)

InChIKey

USTRINPFMINYLU-UHFFFAOYSA-N

Compound name

4-(ethoxymethoxy)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 196.07356 Da
Monoisotopic Mass: 2.3
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]+	197.08084	140.8
[M+Na]+	219.06278	152.2
[M+NH4]+	214.10738	147.8
[M+K]+	235.03672	147.2
[M-H]-	195.06628	141.2
[M+Na-2H]-	217.04823	146.2
[M]+	196.07301	142.3
[M]-	196.07411	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe