CID 10862793

93382-47-9

Structural Information

Molecular Formula
C20H24O10
SMILES
CC(=O)O[C@H]1[C@@H]([C@H](C(O[C@H]1C(=O)OC)OC(=O)C)OC(=O)C)OCC2=CC=CC=C2
InChI
InChI=1S/C20H24O10/c1-11(21)27-16-15(26-10-14-8-6-5-7-9-14)18(28-12(2)22)20(29-13(3)23)30-17(16)19(24)25-4/h5-9,15-18,20H,10H2,1-4H3/t15-,16-,17+,18+,20?/m0/s1
InChIKey
VABBQXYOQPFBJO-BVKCNIQUSA-N
Compound name
methyl (2R,3S,4S,5R)-3,5,6-triacetyloxy-4-phenylmethoxyoxane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.13693 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.14421 191.5
[M+Na]+ 447.12615 199.1
[M+NH4]+ 442.17075 193.4
[M+K]+ 463.10009 198.5
[M-H]- 423.12965 191.4
[M+Na-2H]- 445.11160 191.8
[M]+ 424.13638 191.9
[M]- 424.13748 191.9
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.