CID 14163335

32255-79-1

Structural Information

Molecular Formula

C₁₁H₁₄O₅

SMILES

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

InChI

InChI=1S/C11H14O5/c1-15-9-4-3-7(6-10(9)16-2)5-8(12)11(13)14/h3-4,6,8,12H,5H2,1-2H3,(H,13,14)

InChIKey

QWOGOAJYTDRDFT-UHFFFAOYSA-N

Compound name

3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 226.08412 Da
Monoisotopic Mass: 0.7
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]+	227.09140	148.2
[M+Na]+	249.07334	158.4
[M+NH4]+	244.11794	154.0
[M+K]+	265.04728	155.1
[M-H]-	225.07684	147.4
[M+Na-2H]-	247.05879	151.7
[M]+	226.08357	149.1
[M]-	226.08467	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe