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 172.8
[M+Na]+ 311.18288 176.1
[M-H]- 287.18638 171.8
[M+NH4]+ 306.22748 188.4
[M+K]+ 327.15682 176.7
[M+H-H2O]+ 271.19092 166.5
[M+HCOO]- 333.19186 191.4
[M+CH3COO]- 347.20751 204.3
[M+Na-2H]- 309.16833 170.4
[M]+ 288.19311 180.7
[M]- 288.19421 180.7
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.