CID 11957427

3-(4-hydroxyphenyl)propanal

Structural Information

Molecular Formula

C₉H₁₀O₂

SMILES

C1=CC(=CC=C1CCC=O)O

InChI

InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h3-7,11H,1-2H2

InChIKey

REEQXZCFSBLNDH-UHFFFAOYSA-N

Compound name

3-(4-hydroxyphenyl)propanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 515
Patents: 150.06808 Da
Monoisotopic Mass: 1.5
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]+	151.07536	129.9
[M+Na]+	173.05730	142.9
[M+NH4]+	168.10190	138.5
[M+K]+	189.03124	136.3
[M-H]-	149.06080	131.7
[M+Na-2H]-	171.04275	137.0
[M]+	150.06753	132.2
[M]-	150.06863	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe