CID 581043

D-arabino-hex-1-enitol, 1,5-anhydro-, tetraacetate

Structural Information

Molecular Formula
C14H18O9
SMILES
CC(=O)OCC1C(C(C(=CO1)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C14H18O9/c1-7(15)19-5-11-13(22-9(3)17)14(23-10(4)18)12(6-20-11)21-8(2)16/h6,11,13-14H,5H2,1-4H3
InChIKey
CSRHQVSHQIAMPP-UHFFFAOYSA-N
Compound name
(3,4,5-triacetyloxy-3,4-dihydro-2H-pyran-2-yl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

330.0951 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.10238 169.1
[M+Na]+ 353.08432 176.1
[M+NH4]+ 348.12892 171.3
[M+K]+ 369.05826 176.2
[M-H]- 329.08782 166.8
[M+Na-2H]- 351.06977 167.9
[M]+ 330.09455 168.7
[M]- 330.09565 168.7
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.