CID 6437579

2-phenylpent-3-enal

Structural Information

Molecular Formula

C₁₁H₁₂O

SMILES

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

InChI

InChI=1S/C11H12O/c1-2-6-11(9-12)10-7-4-3-5-8-10/h2-9,11H,1H3/b6-2+

InChIKey

ATYUEOYJIQYTAG-QHHAFSJGSA-N

Compound name

(E)-2-phenylpent-3-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 160.08882 Da
Monoisotopic Mass: 2.4
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]+	161.09610	134.0
[M+Na]+	183.07804	141.0
[M-H]-	159.08154	137.5
[M+NH4]+	178.12264	154.8
[M+K]+	199.05198	138.5
[M+H-H2O]+	143.08608	128.4
[M+HCOO]-	205.08702	157.6
[M+CH3COO]-	219.10267	177.8
[M+Na-2H]-	181.06349	140.1
[M]+	160.08827	134.0
[M]-	160.08937	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe