CID 114651

2,4-pentadienal, 5-phenyl-

Structural Information

Molecular Formula

C₁₁H₁₀O

SMILES

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

InChI

InChI=1S/C11H10O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-10H

InChIKey

UWTZBVTWSKWXMN-UHFFFAOYSA-N

Compound name

5-phenylpenta-2,4-dienal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 276
Patents: 158.07317 Da
Monoisotopic Mass: 2.5
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]+	159.08045	134.7
[M+Na]+	181.06239	148.1
[M+NH4]+	176.10699	143.4
[M+K]+	197.03633	139.7
[M-H]-	157.06589	136.9
[M+Na-2H]-	179.04784	142.3
[M]+	158.07262	137.2
[M]-	158.07372	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe