CID 3632575

84969-24-4

Structural Information

Molecular Formula

C₁₀H₁₀O₅

SMILES

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

InChI

InChI=1S/C10H10O5/c1-14-9-4-8(15-6-10(12)13)3-2-7(9)5-11/h2-5H,6H2,1H3,(H,12,13)

InChIKey

ORVNCMYBCMQQSV-UHFFFAOYSA-N

Compound name

2-(4-formyl-3-methoxyphenoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 210.05283 Da
Monoisotopic Mass: 0.9
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]+	211.06011	142.5
[M+Na]+	233.04205	153.9
[M+NH4]+	228.08665	148.7
[M+K]+	249.01599	149.6
[M-H]-	209.04555	142.2
[M+Na-2H]-	231.02750	147.1
[M]+	210.05228	143.7
[M]-	210.05338	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe