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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 159.3
[M+Na]+ 309.07336 169.0
[M-H]- 285.07686 166.0
[M+NH4]+ 304.11796 178.7
[M+K]+ 325.04730 167.5
[M+H-H2O]+ 269.08140 153.6
[M+HCOO]- 331.08234 174.9
[M+CH3COO]- 345.09799 171.9
[M+Na-2H]- 307.05881 166.8
[M]+ 286.08359 162.3
[M]- 286.08469 162.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.