CID 83064

1,2,3,5-tetraacetyl-beta-d-ribofuranose

Structural Information

Molecular Formula
C13H18O9
SMILES
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C13H18O9/c1-6(14)18-5-10-11(19-7(2)15)12(20-8(3)16)13(22-10)21-9(4)17/h10-13H,5H2,1-4H3/t10-,11-,12-,13-/m1/s1
InChIKey
IHNHAHWGVLXCCI-FDYHWXHSSA-N
Compound name
[(2R,3R,4R,5S)-3,4,5-triacetyloxyoxolan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

1565
Patents

318.0951 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.10238 164.2
[M+Na]+ 341.08432 170.1
[M-H]- 317.08782 168.4
[M+NH4]+ 336.12892 179.0
[M+K]+ 357.05826 173.4
[M+H-H2O]+ 301.09236 159.1
[M+HCOO]- 363.09330 183.1
[M+CH3COO]- 377.10895 204.6
[M+Na-2H]- 339.06977 162.0
[M]+ 318.09455 172.8
[M]- 318.09565 172.8
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