CID 69725

4,6-dimethoxysalicylaldehyde

Structural Information

Molecular Formula

C₉H₁₀O₄

SMILES

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

InChI

InChI=1S/C9H10O4/c1-12-6-3-8(11)7(5-10)9(4-6)13-2/h3-5,11H,1-2H3

InChIKey

FQRQWPNYJOFDLO-UHFFFAOYSA-N

Compound name

2-hydroxy-4,6-dimethoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 554
Patents: 182.0579 Da
Monoisotopic Mass: 1.5
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]+	183.065176	133.5
[M+Na]+	205.047118	143.4
[M-H]-	181.050624	136.8
[M+NH4]+	200.091723	153.5
[M+K]+	221.021058	142.2
[M+H-H2O]+	165.055160	128.3
[M+HCOO]-	227.056101	157.7
[M+CH3COO]-	241.071751	179.5
[M+Na-2H]-	203.032566	139.3
[M]+	182.05735142	137.8
[M]-	182.05844858	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe