CID 162952

Gingerdione

Structural Information

Molecular Formula

C₁₇H₂₄O₄

SMILES

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

InChI

InChI=1S/C17H24O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,20H,3-7,9,12H2,1-2H3

InChIKey

KMNVXQHNIWUUSE-UHFFFAOYSA-N

Compound name

1-(4-hydroxy-3-methoxyphenyl)decane-3,5-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 15
References: 261
Patents: 292.16745 Da
Monoisotopic Mass: 2.6
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]+	293.174726	170.4
[M+Na]+	315.156668	175.6
[M-H]-	291.160174	171.9
[M+NH4]+	310.201273	185.2
[M+K]+	331.130608	172.9
[M+H-H2O]+	275.164710	163.5
[M+HCOO]-	337.165651	190.0
[M+CH3COO]-	351.181301	203.2
[M+Na-2H]-	313.142116	170.0
[M]+	292.16690142	175.2
[M]-	292.16799858	175.2

Literature stripe

literature stripe

Patent stripe

patents stripe