CID 10778827

5,6-b']dipyran-2(2h)-one-10(10h)-ol

Structural Information

Molecular Formula
C15H16O5
SMILES
C[C@@H]1[C@H](OC2=CC(=C3C=CC(=O)OC3=C2[C@H]1O)OC)C
InChI
InChI=1S/C15H16O5/c1-7-8(2)19-11-6-10(18-3)9-4-5-12(16)20-15(9)13(11)14(7)17/h4-8,14,17H,1-3H3/t7-,8-,14+/m1/s1
InChIKey
NLNSHUVAIACQLL-WGZSSWNPSA-N
Compound name
(8R,9S,10S)-10-hydroxy-5-methoxy-8,9-dimethyl-9,10-dihydro-8H-pyrano[2,3-f]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.09976 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10704 158.8
[M+Na]+ 299.08898 169.5
[M-H]- 275.09248 165.3
[M+NH4]+ 294.13358 174.7
[M+K]+ 315.06292 168.8
[M+H-H2O]+ 259.09702 152.3
[M+HCOO]- 321.09796 175.7
[M+CH3COO]- 335.11361 200.5
[M+Na-2H]- 297.07443 165.2
[M]+ 276.09921 163.8
[M]- 276.10031 163.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.