CID 317753

Diethyl 2-oxo-1,3-cyclohexanedipropionate

Structural Information

Molecular Formula
C16H26O5
SMILES
CCOC(=O)CCC1CCCC(C1=O)CCC(=O)OCC
InChI
InChI=1S/C16H26O5/c1-3-20-14(17)10-8-12-6-5-7-13(16(12)19)9-11-15(18)21-4-2/h12-13H,3-11H2,1-2H3
InChIKey
SXEGZONRXURZQK-UHFFFAOYSA-N
Compound name
ethyl 3-[3-(3-ethoxy-3-oxopropyl)-2-oxocyclohexyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

298.178 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.18528 171.5
[M+Na]+ 321.16722 179.0
[M+NH4]+ 316.21182 176.4
[M+K]+ 337.14116 174.4
[M-H]- 297.17072 170.3
[M+Na-2H]- 319.15267 172.0
[M]+ 298.17745 171.7
[M]- 298.17855 171.7
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

patents stripe