CID 8467

3-ethoxy-4-hydroxybenzaldehyde

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

CCOC1=C(C=CC(=C1)C=O)O

InChI

InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3

InChIKey

CBOQJANXLMLOSS-UHFFFAOYSA-N

Compound name

3-ethoxy-4-hydroxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 94
References: 44470
Patents: 166.06299 Da
Monoisotopic Mass: 1.6
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]+	167.07027	132.6
[M+Na]+	189.05221	145.5
[M+NH4]+	184.09681	140.6
[M+K]+	205.02615	139.6
[M-H]-	165.05571	133.9
[M+Na-2H]-	187.03766	139.0
[M]+	166.06244	134.7
[M]-	166.06354	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe