CID 14191181

Yucalexin b16

Structural Information

Molecular Formula

C₂₀H₂₈O₂

SMILES

CC1(C2CCC34CC(C=C3)(C(=O)CC4C2(CCC1=O)C)C)C

InChI

InChI=1S/C20H28O2/c1-17(2)13-5-8-20-10-9-18(3,12-20)16(22)11-14(20)19(13,4)7-6-15(17)21/h9-10,13-14H,5-8,11-12H2,1-4H3

InChIKey

ZUZSPZMYVHKHKO-UHFFFAOYSA-N

Compound name

5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-6,12-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 300.20892 Da
Monoisotopic Mass: 3.9
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]+	301.216196	171.5
[M+Na]+	323.198138	179.7
[M-H]-	299.201644	176.0
[M+NH4]+	318.242743	199.5
[M+K]+	339.172078	173.9
[M+H-H2O]+	283.206180	165.2
[M+HCOO]-	345.207121	182.6
[M+CH3COO]-	359.222771	182.1
[M+Na-2H]-	321.183586	175.0
[M]+	300.20837142	168.3
[M]-	300.20946858	168.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.