CID 102346

2872-72-2

Structural Information

Molecular Formula
C20H24O10
SMILES
CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C20H24O10/c1-11(21)25-10-16-17(26-12(2)22)18(27-13(3)23)19(28-14(4)24)20(30-16)29-15-8-6-5-7-9-15/h5-9,16-20H,10H2,1-4H3/t16-,17+,18+,19-,20-/m1/s1
InChIKey
HPKPFIHCMIKXMU-LCWAXJCOSA-N
Compound name
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-phenoxyoxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

424.13693 Da
Monoisotopic Mass

2.4
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

literature stripe

Patent stripe

patents stripe