CID 11244853

20513-95-5

Structural Information

Molecular Formula
C15H20O7S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)O
InChI
InChI=1S/C15H20O7S/c1-9-4-6-10(7-5-9)23(17,18)19-8-11-12(16)13-14(20-11)22-15(2,3)21-13/h4-7,11-14,16H,8H2,1-3H3/t11-,12+,13-,14-/m1/s1
InChIKey
RMWKMMUSFZVFMX-XJFOESAGSA-N
Compound name
[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

344.093 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.10028 173.3
[M+Na]+ 367.08222 181.9
[M+NH4]+ 362.12682 180.4
[M+K]+ 383.05616 180.0
[M-H]- 343.08572 177.0
[M+Na-2H]- 365.06767 174.8
[M]+ 344.09245 176.0
[M]- 344.09355 176.0
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