CID 11035262

33208-48-9

Structural Information

Molecular Formula
C20H22O5
SMILES
C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)OCC3=CC=CC=C3)O)OCC4=CC=CC=C4
InChI
InChI=1S/C20H22O5/c21-17-18(22-11-14-7-3-1-4-8-14)16-13-24-20(25-16)19(17)23-12-15-9-5-2-6-10-15/h1-10,16-21H,11-13H2/t16-,17+,18-,19-,20-/m1/s1
InChIKey
MXNWLHBKIGOLJO-USYVTKNRSA-N
Compound name
(1R,2S,3S,4R,5R)-2,4-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

342.14673 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15401 177.2
[M+Na]+ 365.13595 182.1
[M-H]- 341.13945 185.6
[M+NH4]+ 360.18055 190.0
[M+K]+ 381.10989 180.7
[M+H-H2O]+ 325.14399 169.5
[M+HCOO]- 387.14493 193.0
[M+CH3COO]- 401.16058 187.4
[M+Na-2H]- 363.12140 180.8
[M]+ 342.14618 179.2
[M]- 342.14728 179.2
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

patents stripe