CID 14440539

[10]-gingerdione

Structural Information

Molecular Formula

C₂₁H₃₂O₄

SMILES

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

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/h12,14-15,24H,3-11,13,16H2,1-2H3

InChIKey

QPSYZJDGMPQMSV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 348.23007 Da
Monoisotopic Mass: 4.7
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]+	349.237346	188.7
[M+Na]+	371.219288	192.2
[M-H]-	347.222794	189.4
[M+NH4]+	366.263893	201.3
[M+K]+	387.193228	188.5
[M+H-H2O]+	331.227330	181.1
[M+HCOO]-	393.228271	207.0
[M+CH3COO]-	407.243921	215.1
[M+Na-2H]-	369.204736	186.2
[M]+	348.22952142	195.0
[M]-	348.23061858	195.0

Literature stripe

literature stripe

Patent stripe

patents stripe