CID 487653

Cj-12,371

Structural Information

Molecular Formula
C20H16O4
SMILES
C1CC2(C3=C([C@H]1O)C(=CC=C3)O)OC4=CC=CC5=C4C(=CC=C5)O2
InChI
InChI=1S/C20H16O4/c21-14-7-3-6-13-19(14)15(22)10-11-20(13)23-16-8-1-4-12-5-2-9-17(24-20)18(12)16/h1-9,15,21-22H,10-11H2/t15-/m0/s1
InChIKey
VPWWOWTXVIXWBW-HNNXBMFYSA-N
Compound name
(1S)-spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-1,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3
Patents

320.10486 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.11214 173.1
[M+Na]+ 343.09408 189.4
[M+NH4]+ 338.13868 184.7
[M+K]+ 359.06802 179.4
[M-H]- 319.09758 180.7
[M+Na-2H]- 341.07953 179.0
[M]+ 320.10431 178.1
[M]- 320.10541 178.1
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

patents stripe