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]+ 233.10196 149.6
[M+Na]+ 255.08390 154.5
[M-H]- 231.08740 153.8
[M+NH4]+ 250.12850 164.6
[M+K]+ 271.05784 157.7
[M+H-H2O]+ 215.09194 143.4
[M+HCOO]- 277.09288 167.4
[M+CH3COO]- 291.10853 188.1
[M+Na-2H]- 253.06935 153.5
[M]+ 232.09413 153.2
[M]- 232.09523 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