CID 91820058

1alpha-hydroxymedicarpin

Structural Information

Molecular Formula

C₁₆H₁₄O₅

SMILES

COC1=CC2=C(C=C1)[C@@H]3COC4=CC(=O)C=CC4([C@@H]3O2)O

InChI

InChI=1S/C16H14O5/c1-19-10-2-3-11-12-8-20-14-6-9(17)4-5-16(14,18)15(12)21-13(11)7-10/h2-7,12,15,18H,8H2,1H3/t12-,15+,16?/m0/s1

InChIKey

ADSQTWKKQGAOFT-PNMZXMJCSA-N

Compound name

(6aR,11aR)-11b-hydroxy-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
Patents: 286.08414 Da
Monoisotopic Mass: 0.8
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]+	287.091416	159.3
[M+Na]+	309.073358	169.0
[M-H]-	285.076864	166.0
[M+NH4]+	304.117963	178.7
[M+K]+	325.047298	167.5
[M+H-H2O]+	269.081400	153.6
[M+HCOO]-	331.082341	174.9
[M+CH3COO]-	345.097991	171.9
[M+Na-2H]-	307.058806	166.8
[M]+	286.08359142	162.3
[M]-	286.08468858	162.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.