CID 131752686

Americanin d

Structural Information

Molecular Formula

C₁₈H₁₆O₆

SMILES

C1=CC(=C(C=C1C2C(C3=C(O2)C(=CC(=C3)/C=C\C=O)O)CO)O)O

InChI

InChI=1S/C18H16O6/c19-5-1-2-10-6-12-13(9-20)17(24-18(12)16(23)7-10)11-3-4-14(21)15(22)8-11/h1-8,13,17,20-23H,9H2/b2-1-

InChIKey

CGSLPFBMGQUTKF-UPHRSURJSA-N

Compound name

(Z)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 328.0947 Da
Monoisotopic Mass: 1.4
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]+	329.101976	173.4
[M+Na]+	351.083918	182.2
[M-H]-	327.087424	177.5
[M+NH4]+	346.128523	186.7
[M+K]+	367.057858	177.5
[M+H-H2O]+	311.091960	167.6
[M+HCOO]-	373.092901	190.0
[M+CH3COO]-	387.108551	200.9
[M+Na-2H]-	349.069366	174.3
[M]+	328.09415142	175.1
[M]-	328.09524858	175.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe