CID 6453965

3-(2-hydroxyethoxy)benzaldehyde

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

C1=CC(=CC(=C1)OCCO)C=O

InChI

InChI=1S/C9H10O3/c10-4-5-12-9-3-1-2-8(6-9)7-11/h1-3,6-7,10H,4-5H2

InChIKey

LIUCHRXQRHVSJI-UHFFFAOYSA-N

Compound name

3-(2-hydroxyethoxy)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 371
Patents: 166.06299 Da
Monoisotopic Mass: 0.7
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	132.0
[M+Na]+	189.052208	140.1
[M-H]-	165.055714	134.5
[M+NH4]+	184.096813	152.1
[M+K]+	205.026148	138.3
[M+H-H2O]+	149.060250	126.5
[M+HCOO]-	211.061191	156.0
[M+CH3COO]-	225.076841	175.0
[M+Na-2H]-	187.037656	139.1
[M]+	166.06244142	134.1
[M]-	166.06353858	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe