CID 11256093

(3's)-3',8'-dihydroxyspiro[[?]-4,4'-tetralin]-1'-one

Structural Information

Molecular Formula
C20H14O5
SMILES
C1[C@@H](C2(C3=C(C1=O)C(=CC=C3)O)OC4=CC=CC5=C4C(=CC=C5)O2)O
InChI
InChI=1S/C20H14O5/c21-13-7-3-6-12-19(13)14(22)10-17(23)20(12)24-15-8-1-4-11-5-2-9-16(25-20)18(11)15/h1-9,17,21,23H,10H2/t17-/m0/s1
InChIKey
IDPDCBWKAQHWIS-KRWDZBQOSA-N
Compound name
(3S)-3,8-dihydroxyspiro[2,3-dihydronaphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.08414 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.09142 173.1
[M+Na]+ 357.07336 182.4
[M-H]- 333.07686 179.9
[M+NH4]+ 352.11796 188.2
[M+K]+ 373.04730 179.5
[M+H-H2O]+ 317.08140 163.9
[M+HCOO]- 379.08234 184.6
[M+CH3COO]- 393.09799 183.7
[M+Na-2H]- 355.05881 181.9
[M]+ 334.08359 173.7
[M]- 334.08469 173.7
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.