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 179.3
[M+Na]+ 365.13595 192.1
[M+NH4]+ 360.18055 187.5
[M+K]+ 381.10989 187.1
[M-H]- 341.13945 186.5
[M+Na-2H]- 363.12140 183.8
[M]+ 342.14618 183.2
[M]- 342.14728 183.2
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