CID 10947545

30021-94-4

Structural Information

Molecular Formula
C14H20O9
SMILES
C[C@H]1[C@@H]([C@H]([C@H](C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C14H20O9/c1-6-11(20-7(2)15)12(21-8(3)16)13(22-9(4)17)14(19-6)23-10(5)18/h6,11-14H,1-5H3/t6-,11-,12+,13+,14?/m0/s1
InChIKey
QZQMGQQOGJIDKJ-IKOZNORXSA-N
Compound name
[(2S,3S,4R,5R)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

332.11072 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.11800 166.2
[M+Na]+ 355.09994 171.8
[M-H]- 331.10344 170.2
[M+NH4]+ 350.14454 178.9
[M+K]+ 371.07388 175.4
[M+H-H2O]+ 315.10798 160.3
[M+HCOO]- 377.10892 182.7
[M+CH3COO]- 391.12457 209.7
[M+Na-2H]- 353.08539 164.0
[M]+ 332.11017 173.6
[M]- 332.11127 173.6
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