CID 14587765

3,7,8,15-scirpenetetrol

Structural Information

Molecular Formula
C15H22O6
SMILES
CC1=CC2C(C(C1O)O)(C3(CC(C(C34CO4)O2)O)C)CO
InChI
InChI=1S/C15H22O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-12,16-19H,4-6H2,1-2H3
InChIKey
QNKGXSIDHDDDHD-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-3,4,10-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.14163 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.14891 165.9
[M+Na]+ 321.13085 176.3
[M+NH4]+ 316.17545 177.7
[M+K]+ 337.10479 171.1
[M-H]- 297.13435 175.6
[M+Na-2H]- 319.11630 170.6
[M]+ 298.14108 171.7
[M]- 298.14218 171.7
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.