CID 243614

{5-[(acetyloxy)methyl]-1,4-dioxan-2-yl}methyl acetate

Structural Information

Molecular Formula
C10H16O6
SMILES
CC(=O)OCC1COC(CO1)COC(=O)C
InChI
InChI=1S/C10H16O6/c1-7(11)13-3-9-5-16-10(6-15-9)4-14-8(2)12/h9-10H,3-6H2,1-2H3
InChIKey
XTTKGLDMUKWIAS-UHFFFAOYSA-N
Compound name
[5-(acetyloxymethyl)-1,4-dioxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

232.09468 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.101956 149.6
[M+Na]+ 255.083898 154.5
[M-H]- 231.087404 153.8
[M+NH4]+ 250.128503 164.6
[M+K]+ 271.057838 157.7
[M+H-H2O]+ 215.091940 143.4
[M+HCOO]- 277.092881 167.4
[M+CH3COO]- 291.108531 188.1
[M+Na-2H]- 253.069346 153.5
[M]+ 232.09413142 153.2
[M]- 232.09522858 153.2
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