CID 131750993

10-acetoxytoxol

Structural Information

Molecular Formula

C₁₅H₁₆O₅

SMILES

CC(=O)C1=CC2=C(C=C1)OC(C2O)C(=C)COC(=O)C

InChI

InChI=1S/C15H16O5/c1-8(7-19-10(3)17)15-14(18)12-6-11(9(2)16)4-5-13(12)20-15/h4-6,14-15,18H,1,7H2,2-3H3

InChIKey

JWOFLZQIQQWHRY-UHFFFAOYSA-N

Compound name

2-(5-acetyl-3-hydroxy-2,3-dihydro-1-benzofuran-2-yl)prop-2-enyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 276.09976 Da
Monoisotopic Mass: 1.1
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]+	277.107036	161.4
[M+Na]+	299.088978	168.6
[M-H]-	275.092484	165.3
[M+NH4]+	294.133583	178.4
[M+K]+	315.062918	167.4
[M+H-H2O]+	259.097020	156.3
[M+HCOO]-	321.097961	179.2
[M+CH3COO]-	335.113611	198.2
[M+Na-2H]-	297.074426	161.3
[M]+	276.09921142	164.6
[M]-	276.10030858	164.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.