CID 231561

4,5-diacetyloxypentyl acetate

Structural Information

Molecular Formula
C11H18O6
SMILES
CC(=O)OCCCC(COC(=O)C)OC(=O)C
InChI
InChI=1S/C11H18O6/c1-8(12)15-6-4-5-11(17-10(3)14)7-16-9(2)13/h11H,4-7H2,1-3H3
InChIKey
BRZLKIOVYHEWSE-UHFFFAOYSA-N
Compound name
4,5-diacetyloxypentyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

246.11034 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.11762 154.7
[M+Na]+ 269.09956 159.9
[M-H]- 245.10306 154.5
[M+NH4]+ 264.14416 171.9
[M+K]+ 285.07350 161.5
[M+H-H2O]+ 229.10760 149.1
[M+HCOO]- 291.10854 175.1
[M+CH3COO]- 305.12419 193.0
[M+Na-2H]- 267.08501 154.6
[M]+ 246.10979 161.8
[M]- 246.11089 161.8
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