CID 3056567

Ep-163

Structural Information

Molecular Formula
C28H50O5
SMILES
CCCCCCCCCCOC(=O)C1CC(C2C(C1)O2)C(=O)OCCCCCCCCCC
InChI
InChI=1S/C28H50O5/c1-3-5-7-9-11-13-15-17-19-31-27(29)23-21-24(26-25(22-23)33-26)28(30)32-20-18-16-14-12-10-8-6-4-2/h23-26H,3-22H2,1-2H3
InChIKey
NRUPAPVYEUPIGN-UHFFFAOYSA-N
Compound name
didecyl 7-oxabicyclo[4.1.0]heptane-2,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.3658 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.37308 213.3
[M+Na]+ 489.35502 220.7
[M+NH4]+ 484.39962 217.9
[M+K]+ 505.32896 215.3
[M-H]- 465.35852 220.3
[M+Na-2H]- 487.34047 213.3
[M]+ 466.36525 217.1
[M]- 466.36635 217.1
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.