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

23
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 166.3
[M+Na]+ 353.08432 172.0
[M-H]- 329.08782 170.4
[M+NH4]+ 348.12892 178.9
[M+K]+ 369.05826 175.4
[M+H-H2O]+ 313.09236 159.9
[M+HCOO]- 375.09330 184.3
[M+CH3COO]- 389.10895 207.8
[M+Na-2H]- 351.06977 165.5
[M]+ 330.09455 174.7
[M]- 330.09565 174.7
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.