CID 44257486

6a-hydroxyisomedicarpin

Structural Information

Molecular Formula
C16H14O5
SMILES
COC1=CC2=C(C=C1)C3C(CO2)(C4=C(O3)C=C(C=C4)O)O
InChI
InChI=1S/C16H14O5/c1-19-10-3-4-11-13(7-10)20-8-16(18)12-5-2-9(17)6-14(12)21-15(11)16/h2-7,15,17-18H,8H2,1H3
InChIKey
MENGTHFLVHDIFW-UHFFFAOYSA-N
Compound name
3-methoxy-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-6a,9-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

286.08414 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 159.7
[M+Na]+ 309.07336 169.8
[M-H]- 285.07686 165.5
[M+NH4]+ 304.11796 178.6
[M+K]+ 325.04730 167.9
[M+H-H2O]+ 269.08140 154.2
[M+HCOO]- 331.08234 175.1
[M+CH3COO]- 345.09799 172.2
[M+Na-2H]- 307.05881 167.8
[M]+ 286.08359 163.1
[M]- 286.08469 163.1
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.