CID 134310

83590-77-6

Structural Information

Molecular Formula

C₁₀H₁₂O₅

SMILES

COC1=C(C=CC(=C1)OCC(=O)O)CO

InChI

InChI=1S/C10H12O5/c1-14-9-4-8(15-6-10(12)13)3-2-7(9)5-11/h2-4,11H,5-6H2,1H3,(H,12,13)

InChIKey

ZKDXHLFLKKWCBY-UHFFFAOYSA-N

Compound name

2-[4-(hydroxymethyl)-3-methoxyphenoxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 263
Patents: 212.06847 Da
Monoisotopic Mass: 0.6
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]+	213.075746	142.6
[M+Na]+	235.057688	150.2
[M-H]-	211.061194	143.9
[M+NH4]+	230.102293	160.1
[M+K]+	251.031628	149.0
[M+H-H2O]+	195.065730	136.9
[M+HCOO]-	257.066671	164.1
[M+CH3COO]-	271.082321	181.8
[M+Na-2H]-	233.043136	146.7
[M]+	212.06792142	145.8
[M]-	212.06901858	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe