CID 141513

3,4-dimethoxy-5-hydroxybenzaldehyde

Structural Information

Molecular Formula

C₉H₁₀O₄

SMILES

COC1=CC(=CC(=C1OC)O)C=O

InChI

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

InChIKey

NVLTWXMZECWWPC-UHFFFAOYSA-N

Compound name

3-hydroxy-4,5-dimethoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 289
Patents: 182.0579 Da
Monoisotopic Mass: 1.0
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	135.4
[M+Na]+	205.04712	148.2
[M+NH4]+	200.09172	142.7
[M+K]+	221.02106	143.0
[M-H]-	181.05062	136.2
[M+Na-2H]-	203.03257	141.0
[M]+	182.05735	137.3
[M]-	182.05845	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe