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 176.3
[M+Na]+ 413.10542 180.7
[M-H]- 389.10892 180.0
[M+NH4]+ 408.15002 208.4
[M+K]+ 429.07936 185.4
[M+H-H2O]+ 373.11346 170.0
[M+HCOO]- 435.11440 191.8
[M+CH3COO]- 449.13005 219.8
[M+Na-2H]- 411.09087 172.8
[M]+ 390.11565 186.1
[M]- 390.11675 186.1
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.