CID 92972

3891-59-6

Structural Information

Molecular Formula
C16H22O11
SMILES
CC(=O)OC[C@H]([C@H]([C@@H]([C@H](C=O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C16H22O11/c1-8(18)23-7-14(25-10(3)20)16(27-12(5)22)15(26-11(4)21)13(6-17)24-9(2)19/h6,13-16H,7H2,1-5H3/t13-,14+,15+,16+/m0/s1
InChIKey
UAOKXEHOENRFMP-ZJIFWQFVSA-N
Compound name
[(2R,3R,4S,5R)-2,3,4,5-tetraacetyloxy-6-oxohexyl] acetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

49
References

12453
Patents

390.1162 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.12348 197.8
[M+Na]+ 413.10542 208.7
[M-H]- 389.10892 207.0
[M+NH4]+ 408.15002 217.6
[M+K]+ 429.07936 203.2
[M+H-H2O]+ 373.11346 205.7
[M+HCOO]- 435.11440 198.4
[M+CH3COO]- 449.13005 219.3
[M+Na-2H]- 411.09087 194.1
[M]+ 390.11565 201.2
[M]- 390.11675 201.2
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