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]+ 425.144206 191.0
[M+Na]+ 447.126148 194.6
[M-H]- 423.129654 197.6
[M+NH4]+ 442.170753 199.0
[M+K]+ 463.100088 197.7
[M+H-H2O]+ 407.134190 182.6
[M+HCOO]- 469.135131 206.9
[M+CH3COO]- 483.150781 225.7
[M+Na-2H]- 445.111596 188.2
[M]+ 424.13638142 199.2
[M]- 424.13747858 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.