CID 23613

D-glucitol, hexaacetate

Structural Information

Molecular Formula
C18H26O12
SMILES
CC(=O)OCC(C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C18H26O12/c1-9(19)25-7-15(27-11(3)21)17(29-13(5)23)18(30-14(6)24)16(28-12(4)22)8-26-10(2)20/h15-18H,7-8H2,1-6H3
InChIKey
NJVBTKVPPOFGAT-UHFFFAOYSA-N
Compound name
2,3,4,5,6-pentaacetyloxyhexyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

785
Patents

434.14243 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.14971 209.5
[M+Na]+ 457.13165 210.5
[M+NH4]+ 452.17625 220.5
[M+K]+ 473.10559 210.8
[M-H]- 433.13515 214.9
[M+Na-2H]- 455.11710 217.9
[M]+ 434.14188 212.1
[M]- 434.14298 212.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe