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: 365
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]+	167.07027	133.1
[M+Na]+	189.05221	145.6
[M+NH4]+	184.09681	141.0
[M+K]+	205.02615	139.5
[M-H]-	165.05571	134.3
[M+Na-2H]-	187.03766	139.6
[M]+	166.06244	135.1
[M]-	166.06354	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe