CID 90475825

74774-21-3

Structural Information

Molecular Formula
C16H22O11
SMILES
CCOC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C16H22O11/c1-6-22-15(21)13-11(23-7(2)17)12(24-8(3)18)14(25-9(4)19)16(27-13)26-10(5)20/h11-14,16H,6H2,1-5H3/t11-,12-,13-,14+,16+/m0/s1
InChIKey
RWXHCKBOPBLXMA-GRYWWWGRSA-N
Compound name
ethyl (2S,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.1162 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.12348 180.2
[M+Na]+ 413.10542 185.0
[M+NH4]+ 408.15002 204.7
[M+K]+ 429.07936 187.1
[M-H]- 389.10892 176.2
[M+Na-2H]- 411.09087 176.5
[M]+ 390.11565 178.8
[M]- 390.11675 178.8
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

No patent data available for this compound.