CID 202332

Bis(2-ethylhexyl)-4,5-epoxycyclohexane-1,2-dicarboxylate

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

781
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 205.1
[M+Na]+ 433.29244 207.6
[M-H]- 409.29594 208.4
[M+NH4]+ 428.33704 211.1
[M+K]+ 449.26638 205.2
[M+H-H2O]+ 393.30048 197.5
[M+HCOO]- 455.30142 216.8
[M+CH3COO]- 469.31707 231.2
[M+Na-2H]- 431.27789 200.1
[M]+ 410.30267 214.6
[M]- 410.30377 214.6
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