CID 101362

4-pentenophenone

Structural Information

Molecular Formula

C₁₁H₁₂O

SMILES

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

InChI

InChI=1S/C11H12O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h2,4-8H,1,3,9H2

InChIKey

KYGSYTRHCDNSGS-UHFFFAOYSA-N

Compound name

1-phenylpent-4-en-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 370
Patents: 160.08882 Da
Monoisotopic Mass: 2.6
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	135.3
[M+Na]+	183.07804	148.2
[M+NH4]+	178.12264	144.0
[M+K]+	199.05198	140.7
[M-H]-	159.08154	137.5
[M+Na-2H]-	181.06349	142.6
[M]+	160.08827	137.7
[M]-	160.08937	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe