CID 5317591

10-gingerdione

Structural Information

Molecular Formula

C₂₁H₃₂O₄

SMILES

CCCCCCCCCC(=O)/C=C(/CCC1=CC(=C(C=C1)O)OC)\O

InChI

InChI=1S/C21H32O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-16,23-24H,3-11,13H2,1-2H3/b19-16-

InChIKey

ZDFMHONYMPZGOT-MNDPQUGUSA-N

Compound name

(Z)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradec-3-en-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 348.23007 Da
Monoisotopic Mass: 6.3
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]+	349.23735	189.4
[M+Na]+	371.21929	192.4
[M-H]-	347.22279	188.7
[M+NH4]+	366.26389	201.2
[M+K]+	387.19323	187.9
[M+H-H2O]+	331.22733	182.0
[M+HCOO]-	393.22827	206.1
[M+CH3COO]-	407.24392	212.0
[M+Na-2H]-	369.20474	186.4
[M]+	348.22952	193.6
[M]-	348.23062	193.6

Literature stripe

literature stripe

Patent stripe

patents stripe