CID 440729

3-methoxy-4-hydroxyphenylglycolaldehyde

Structural Information

Molecular Formula

C₉H₁₀O₄

SMILES

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

InChI

InChI=1S/C9H10O4/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-5,8,11-12H,1H3

InChIKey

VISAJVAPYPFKCL-UHFFFAOYSA-N

Compound name

2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetaldehyde

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 35
Patents: 182.0579 Da
Monoisotopic Mass: -0.3
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]+	183.06518	136.4
[M+Na]+	205.04712	147.9
[M+NH4]+	200.09172	143.2
[M+K]+	221.02106	143.6
[M-H]-	181.05062	136.4
[M+Na-2H]-	203.03257	141.2
[M]+	182.05735	137.8
[M]-	182.05845	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe