CID 202260

26108-75-8

Structural Information

Molecular Formula
C14H21NO9
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)N)OC(=O)C)OC(=O)C
InChI
InChI=1S/C14H21NO9/c1-6(16)20-5-10-12(21-7(2)17)13(22-8(3)18)11(15)14(24-10)23-9(4)19/h10-14H,5,15H2,1-4H3/t10-,11-,12-,13-,14-/m1/s1
InChIKey
ZRAWPYYLRZSVEU-DHGKCCLASA-N
Compound name
[(2R,3S,4R,5R,6S)-3,4,6-triacetyloxy-5-aminooxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

167
Patents

347.12164 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.128916 172.9
[M+Na]+ 370.110858 177.4
[M-H]- 346.114364 176.2
[M+NH4]+ 365.155463 184.2
[M+K]+ 386.084798 180.8
[M+H-H2O]+ 330.118900 166.2
[M+HCOO]- 392.119841 189.6
[M+CH3COO]- 406.135491 214.7
[M+Na-2H]- 368.096306 169.7
[M]+ 347.12109142 178.4
[M]- 347.12218858 178.4
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