CID 318252

95110-10-4

Structural Information

Molecular Formula

C₁₀H₁₂O₅

SMILES

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

InChI

InChI=1S/C10H12O5/c1-13-7-4-3-5-8(14-2)10(7)15-6-9(11)12/h3-5H,6H2,1-2H3,(H,11,12)

InChIKey

MCUFTNXSWDHDIS-UHFFFAOYSA-N

Compound name

2-(2,6-dimethoxyphenoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 212.06847 Da
Monoisotopic Mass: 1.1
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]+	213.075746	141.8
[M+Na]+	235.057688	149.9
[M-H]-	211.061194	144.6
[M+NH4]+	230.102293	160.1
[M+K]+	251.031628	149.6
[M+H-H2O]+	195.065730	135.9
[M+HCOO]-	257.066671	164.9
[M+CH3COO]-	271.082321	184.3
[M+Na-2H]-	233.043136	146.6
[M]+	212.06792142	147.0
[M]-	212.06901858	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe