CID 24826530

[16]-gingerol

Structural Information

Molecular Formula

C₂₇H₄₆O₄

SMILES

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

InChI

InChI=1S/C27H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(28)22-25(29)19-17-23-18-20-26(30)27(21-23)31-2/h18,20-21,24,28,30H,3-17,19,22H2,1-2H3

InChIKey

PBVYYGQREMPCPL-UHFFFAOYSA-N

Compound name

5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)icosan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 434.3396 Da
Monoisotopic Mass: 8.5
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]+	435.346876	217.3
[M+Na]+	457.328818	217.3
[M-H]-	433.332324	215.3
[M+NH4]+	452.373423	225.6
[M+K]+	473.302758	212.1
[M+H-H2O]+	417.336860	208.6
[M+HCOO]-	479.337801	231.7
[M+CH3COO]-	493.353451	231.0
[M+Na-2H]-	455.314266	211.1
[M]+	434.33905142	224.5
[M]-	434.34014858	224.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe