CID 22848810

19285-92-8

Structural Information

Molecular Formula
C15H26O9
SMILES
CC(=O)OC[C@H]([C@H]([C@@H]([C@@H](COC)OC(=O)C)OC)OC)OC(=O)C
InChI
InChI=1S/C15H26O9/c1-9(16)22-8-13(24-11(3)18)15(21-6)14(20-5)12(7-19-4)23-10(2)17/h12-15H,7-8H2,1-6H3/t12-,13-,14-,15-/m1/s1
InChIKey
JTIPYRUUQYKTIG-KBUPBQIOSA-N
Compound name
[(2R,3R,4R,5R)-2,5-diacetyloxy-3,4,6-trimethoxyhexyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

350.15768 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.16496 178.0
[M+Na]+ 373.14690 200.4
[M-H]- 349.15040 194.3
[M+NH4]+ 368.19150 205.3
[M+K]+ 389.12084 184.7
[M+H-H2O]+ 333.15494 171.5
[M+HCOO]- 395.15588 194.4
[M+CH3COO]- 409.17153 213.8
[M+Na-2H]- 371.13235 173.0
[M]+ 350.15713 194.0
[M]- 350.15823 194.0
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