CID 133445

80321-89-7

Structural Information

Molecular Formula
C14H19N3O9
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)N=[N+]=[N-])OC(=O)C)OC(=O)C
InChI
InChI=1S/C14H19N3O9/c1-6(18)22-5-10-12(23-7(2)19)13(24-8(3)20)11(16-17-15)14(26-10)25-9(4)21/h10-14H,5H2,1-4H3/t10-,11-,12-,13-,14-/m1/s1
InChIKey
QKGHBQJLEHAMKJ-DHGKCCLASA-N
Compound name
[(2R,3S,4R,5R,6S)-3,4,6-triacetyloxy-5-azidooxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

57
References

132
Patents

373.11212 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.11940 180.2
[M+Na]+ 396.10134 187.7
[M+NH4]+ 391.14594 189.7
[M+K]+ 412.07528 197.3
[M-H]- 372.10484 180.2
[M+Na-2H]- 394.08679 178.1
[M]+ 373.11157 182.9
[M]- 373.11267 182.9
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