CID 86217089

Methyl-8-gingerol

Structural Information

Molecular Formula

C₂₀H₃₂O₄

SMILES

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

InChI

InChI=1S/C20H32O4/c1-4-5-6-7-8-9-17(21)15-18(22)12-10-16-11-13-19(23-2)20(14-16)24-3/h11,13-14,17,21H,4-10,12,15H2,1-3H3

InChIKey

IKXQNPSOQKPFAU-UHFFFAOYSA-N

Compound name

1-(3,4-dimethoxyphenyl)-5-hydroxydodecan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 336.23007 Da
Monoisotopic Mass: 4.5
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]+	337.23735	185.8
[M+Na]+	359.21929	189.4
[M-H]-	335.22279	186.7
[M+NH4]+	354.26389	198.9
[M+K]+	375.19323	186.6
[M+H-H2O]+	319.22733	178.2
[M+HCOO]-	381.22827	204.2
[M+CH3COO]-	395.24392	212.9
[M+Na-2H]-	357.20474	183.8
[M]+	336.22952	192.4
[M]-	336.23062	192.4

Literature stripe

literature stripe

Patent stripe

patents stripe