CID 202332

10138-36-0

Structural Information

Molecular Formula
C24H42O5
SMILES
CCCCC(CC)COC(=O)C1CC2C(O2)CC1C(=O)OCC(CC)CCCC
InChI
InChI=1S/C24H42O5/c1-5-9-11-17(7-3)15-27-23(25)19-13-21-22(29-21)14-20(19)24(26)28-16-18(8-4)12-10-6-2/h17-22H,5-16H2,1-4H3
InChIKey
RRDGKBOYQLLJSW-UHFFFAOYSA-N
Compound name
bis(2-ethylhexyl) 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

755
Patents

410.30322 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.31050 197.8
[M+Na]+ 433.29244 205.4
[M+NH4]+ 428.33704 202.8
[M+K]+ 449.26638 202.3
[M-H]- 409.29594 204.6
[M+Na-2H]- 431.27789 198.1
[M]+ 410.30267 201.5
[M]- 410.30377 201.5
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