CID 11089343

4692-12-0

Structural Information

Molecular Formula
C14H20O10
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(=O)C)O)OC(=O)C)OC(=O)C
InChI
InChI=1S/C14H20O10/c1-6(15)20-5-10-12(21-7(2)16)13(22-8(3)17)11(19)14(24-10)23-9(4)18/h10-14,19H,5H2,1-4H3/t10-,11-,12-,13-,14+/m1/s1
InChIKey
SHBHJRVMGYVXKK-KSTCHIGDSA-N
Compound name
[(2R,3R,4R,5R,6R)-3,4,6-triacetyloxy-5-hydroxyoxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

348.10565 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.11293 169.1
[M+Na]+ 371.09487 174.0
[M-H]- 347.09837 171.6
[M+NH4]+ 366.13947 180.2
[M+K]+ 387.06881 177.5
[M+H-H2O]+ 331.10291 163.0
[M+HCOO]- 393.10385 184.2
[M+CH3COO]- 407.11950 209.8
[M+Na-2H]- 369.08032 166.6
[M]+ 348.10510 176.1
[M]- 348.10620 176.1
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