CID 6784

Bis(2-ethylhexyl) cyclohexane-1,2-dicarboxylate

Structural Information

Molecular Formula
C24H44O4
SMILES
CCCCC(CC)COC(=O)C1CCCCC1C(=O)OCC(CC)CCCC
InChI
InChI=1S/C24H44O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h19-22H,5-18H2,1-4H3
InChIKey
DIMOQAGSNHTROK-UHFFFAOYSA-N
Compound name
bis(2-ethylhexyl) cyclohexane-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

776
Patents

396.32397 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.33125 203.8
[M+Na]+ 419.31319 209.0
[M+NH4]+ 414.35779 207.9
[M+K]+ 435.28713 203.6
[M-H]- 395.31669 202.6
[M+Na-2H]- 417.29864 202.3
[M]+ 396.32342 203.6
[M]- 396.32452 203.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe