CID 115809

64058-37-3

Structural Information

Molecular Formula
C15H28O5
SMILES
CCCCC(CC)COCCOC(=O)C(C)OC(=O)C
InChI
InChI=1S/C15H28O5/c1-5-7-8-14(6-2)11-18-9-10-19-15(17)12(3)20-13(4)16/h12,14H,5-11H2,1-4H3
InChIKey
VTBPOFSDLYKXGE-UHFFFAOYSA-N
Compound name
2-(2-ethylhexoxy)ethyl 2-acetyloxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.19366 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.20094 170.6
[M+Na]+ 311.18288 176.8
[M+NH4]+ 306.22748 174.6
[M+K]+ 327.15682 173.5
[M-H]- 287.18638 166.9
[M+Na-2H]- 309.16833 169.5
[M]+ 288.19311 169.9
[M]- 288.19421 169.9
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.