CID 11013415

Ec 612-107-5

Structural Information

Molecular Formula
C14H18O10
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C14H18O10/c1-6(15)20-5-10-11(21-7(2)16)12(22-8(3)17)13(14(19)24-10)23-9(4)18/h10-13H,5H2,1-4H3/t10-,11-,12+,13-/m1/s1
InChIKey
BWFISYIJSZXAOV-FVCCEPFGSA-N
Compound name
[(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-oxooxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

346.09 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.09728 166.1
[M+Na]+ 369.07922 171.7
[M-H]- 345.08272 170.1
[M+NH4]+ 364.12382 177.9
[M+K]+ 385.05316 175.4
[M+H-H2O]+ 329.08726 160.0
[M+HCOO]- 391.08820 183.0
[M+CH3COO]- 405.10385 211.3
[M+Na-2H]- 367.06467 164.3
[M]+ 346.08945 174.3
[M]- 346.09055 174.3
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