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 191.0
[M+Na]+ 447.12615 194.6
[M-H]- 423.12965 197.6
[M+NH4]+ 442.17075 199.0
[M+K]+ 463.10009 197.7
[M+H-H2O]+ 407.13419 182.6
[M+HCOO]- 469.13513 206.9
[M+CH3COO]- 483.15078 225.7
[M+Na-2H]- 445.11160 188.2
[M]+ 424.13638 199.2
[M]- 424.13748 199.2
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.