CID 3010883

(1ar,2s,7ar)-spiro[2,7a-dihydro-1ah-naphtho[2,3-b]oxirene-7,7'-[?]]-2,3-diol

Structural Information

Molecular Formula
C20H14O5
SMILES
C1=CC2=C3C(=C1)OC4([C@H]5[C@H](O5)[C@H](C6=C4C=CC=C6O)O)OC3=CC=C2
InChI
InChI=1S/C20H14O5/c21-12-7-3-6-11-16(12)17(22)18-19(23-18)20(11)24-13-8-1-4-10-5-2-9-14(25-20)15(10)13/h1-9,17-19,21-22H/t17-,18+,19+/m0/s1
InChIKey
HDSAIJZBOBVWLA-IPMKNSEASA-N
Compound name
(1'aR,2'S,7'aR)-spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,7'-2,7a-dihydro-1aH-naphtho[2,3-b]oxirene]-2',3'-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.08414 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.09142 170.7
[M+Na]+ 357.07336 182.4
[M-H]- 333.07686 179.4
[M+NH4]+ 352.11796 180.9
[M+K]+ 373.04730 181.2
[M+H-H2O]+ 317.08140 161.6
[M+HCOO]- 379.08234 180.0
[M+CH3COO]- 393.09799 181.3
[M+Na-2H]- 355.05881 181.0
[M]+ 334.08359 176.3
[M]- 334.08469 176.3
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.