CID 11475919

84563-90-6

Structural Information

Molecular Formula
C19H26O9S
SMILES
CC(=O)OC[C@H]([C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)OCC3=CC=CC=C3)OS(=O)(=O)C
InChI
InChI=1S/C19H26O9S/c1-12(20)23-11-14(28-29(4,21)22)15-16(24-10-13-8-6-5-7-9-13)17-18(25-15)27-19(2,3)26-17/h5-9,14-18H,10-11H2,1-4H3/t14-,15-,16+,17-,18-/m1/s1
InChIKey
PRSQKRSESJUVPD-UYTYNIKBSA-N
Compound name
[(2R)-2-[(3aR,5S,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-methylsulfonyloxyethyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.12976 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.13704 193.4
[M+Na]+ 453.11898 199.5
[M+NH4]+ 448.16358 198.4
[M+K]+ 469.09292 199.0
[M-H]- 429.12248 195.7
[M+Na-2H]- 451.10443 193.5
[M]+ 430.12921 195.2
[M]- 430.13031 195.2
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

No patent data available for this compound.