CID 68117

3-ethoxysalicylaldehyde

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

CCOC1=CC=CC(=C1O)C=O

InChI

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

InChIKey

OFQBYHLLIJGMNP-UHFFFAOYSA-N

Compound name

3-ethoxy-2-hydroxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 36
References: 796
Patents: 166.06299 Da
Monoisotopic Mass: 1.7
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]+	167.070266	131.3
[M+Na]+	189.052208	140.4
[M-H]-	165.055714	134.3
[M+NH4]+	184.096813	151.7
[M+K]+	205.026148	138.6
[M+H-H2O]+	149.060250	126.1
[M+HCOO]-	211.061191	155.3
[M+CH3COO]-	225.076841	176.1
[M+Na-2H]-	187.037656	137.8
[M]+	166.06244142	133.8
[M]-	166.06353858	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe