CID 5803450

104-27-8

Structural Information

Molecular Formula

C₁₂H₁₄O₂

SMILES

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

InChI

InChI=1S/C12H14O2/c1-3-11(13)7-4-10-5-8-12(14-2)9-6-10/h4-9H,3H2,1-2H3/b7-4+

InChIKey

SLDQOBRACOQXGE-QPJJXVBHSA-N

Compound name

(E)-1-(4-methoxyphenyl)pent-1-en-3-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 296
Patents: 190.09938 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]+	191.10666	142.4
[M+Na]+	213.08860	155.1
[M+NH4]+	208.13320	150.4
[M+K]+	229.06254	148.1
[M-H]-	189.09210	144.1
[M+Na-2H]-	211.07405	148.8
[M]+	190.09883	144.6
[M]-	190.09993	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe