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 194.8
[M+Na]+ 453.11898 200.5
[M-H]- 429.12248 204.1
[M+NH4]+ 448.16358 207.4
[M+K]+ 469.09292 204.0
[M+H-H2O]+ 413.12702 192.5
[M+HCOO]- 475.12796 206.0
[M+CH3COO]- 489.14361 221.7
[M+Na-2H]- 451.10443 196.7
[M]+ 430.12921 206.9
[M]- 430.13031 206.9
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.