CID 15126295

Dtxsid801317674

Structural Information

Molecular Formula
C16H20O5
SMILES
C[C@H]1CC2=CC(=C3C[C@H](OC3=C2C(=O)O1)C(C)(C)O)OC
InChI
InChI=1S/C16H20O5/c1-8-5-9-6-11(19-4)10-7-12(16(2,3)18)21-14(10)13(9)15(17)20-8/h6,8,12,18H,5,7H2,1-4H3/t8-,12-/m0/s1
InChIKey
QBALHQFWXZYTDM-UFBFGSQYSA-N
Compound name
(2S,7S)-2-(2-hydroxypropan-2-yl)-4-methoxy-7-methyl-2,3,6,7-tetrahydrofuro[3,2-h]isochromen-9-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

292.13107 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.138346 165.3
[M+Na]+ 315.120288 173.8
[M-H]- 291.123794 171.0
[M+NH4]+ 310.164893 182.1
[M+K]+ 331.094228 173.4
[M+H-H2O]+ 275.128330 161.0
[M+HCOO]- 337.129271 179.6
[M+CH3COO]- 351.144921 202.6
[M+Na-2H]- 313.105736 169.8
[M]+ 292.13052142 169.2
[M]- 292.13161858 169.2
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.