CID 99461

7772-79-4

Structural Information

Molecular Formula
C16H23NO10
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C16H23NO10/c1-7(18)17-13-15(25-10(4)21)14(24-9(3)20)12(6-23-8(2)19)27-16(13)26-11(5)22/h12-16H,6H2,1-5H3,(H,17,18)/t12-,13-,14-,15-,16-/m1/s1
InChIKey
OVPIZHVSWNOZMN-OXGONZEZSA-N
Compound name
[(2R,3S,4R,5R,6S)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

555
Patents

389.1322 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.13948 183.2
[M+Na]+ 412.12142 187.1
[M+NH4]+ 407.16602 206.9
[M+K]+ 428.09536 189.0
[M-H]- 388.12492 179.9
[M+Na-2H]- 410.10687 179.4
[M]+ 389.13165 181.8
[M]- 389.13275 181.8
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