CID 31211

Zingerone

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

CC(=O)CCC1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-7,13H,3-4H2,1-2H3

InChIKey

OJYLAHXKWMRDGS-UHFFFAOYSA-N

Compound name

4-(4-hydroxy-3-methoxyphenyl)butan-2-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 244
References: 10742
Patents: 194.0943 Da
Monoisotopic Mass: 0.8
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]+	195.10158	141.8
[M+Na]+	217.08352	153.9
[M+NH4]+	212.12812	149.2
[M+K]+	233.05746	148.3
[M-H]-	193.08702	142.7
[M+Na-2H]-	215.06897	147.2
[M]+	194.09375	143.6
[M]-	194.09485	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe