CID 113843

63744-50-3

Structural Information

Molecular Formula
C11H20O5
SMILES
CC(C)COCC(COC(=O)C)OC(=O)C
InChI
InChI=1S/C11H20O5/c1-8(2)5-14-6-11(16-10(4)13)7-15-9(3)12/h8,11H,5-7H2,1-4H3
InChIKey
VWESURLUVCVBAZ-UHFFFAOYSA-N
Compound name
[2-acetyloxy-3-(2-methylpropoxy)propyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.13107 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.13835 154.0
[M+Na]+ 255.12029 158.9
[M-H]- 231.12379 153.7
[M+NH4]+ 250.16489 171.8
[M+K]+ 271.09423 160.5
[M+H-H2O]+ 215.12833 148.4
[M+HCOO]- 277.12927 173.9
[M+CH3COO]- 291.14492 192.5
[M+Na-2H]- 253.10574 153.7
[M]+ 232.13052 160.4
[M]- 232.13162 160.4
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

No patent data available for this compound.