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

836
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 210.6
[M+Na]+ 457.13165 221.0
[M-H]- 433.13515 221.1
[M+NH4]+ 452.17625 232.5
[M+K]+ 473.10559 216.8
[M+H-H2O]+ 417.13969 218.8
[M+HCOO]- 479.14063 207.9
[M+CH3COO]- 493.15628 227.4
[M+Na-2H]- 455.11710 206.0
[M]+ 434.14188 214.4
[M]- 434.14298 214.4
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