CID 5320336

Ginsenoyne e

Structural Information

Molecular Formula

C₁₇H₂₂O₂

SMILES

CCCCCCCC1C(O1)CC#CC#CC(=O)C=C

InChI

InChI=1S/C17H22O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h4,16-17H,2-3,5-7,10,13-14H2,1H3

InChIKey

WIONCQLWGYLTME-UHFFFAOYSA-N

Compound name

8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 258.162 Da
Monoisotopic Mass: 5.0
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]+	259.16928	154.8
[M+Na]+	281.15122	171.2
[M-H]-	257.15472	160.8
[M+NH4]+	276.19582	165.3
[M+K]+	297.12516	162.5
[M+H-H2O]+	241.15926	144.5
[M+HCOO]-	303.16020	165.7
[M+CH3COO]-	317.17585	220.2
[M+Na-2H]-	279.13667	157.8
[M]+	258.16145	154.3
[M]-	258.16255	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe