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]+ 289.200936 172.8
[M+Na]+ 311.182878 176.1
[M-H]- 287.186384 171.8
[M+NH4]+ 306.227483 188.4
[M+K]+ 327.156818 176.7
[M+H-H2O]+ 271.190920 166.5
[M+HCOO]- 333.191861 191.4
[M+CH3COO]- 347.207511 204.3
[M+Na-2H]- 309.168326 170.4
[M]+ 288.19311142 180.7
[M]- 288.19420858 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.