CID 103744

53148-32-6

Structural Information

Molecular Formula
C24H44O4
SMILES
CCCCC(CC)C(=O)OCC1CCC(CC1)COC(=O)C(CC)CCCC
InChI
InChI=1S/C24H44O4/c1-5-9-11-21(7-3)23(25)27-17-19-13-15-20(16-14-19)18-28-24(26)22(8-4)12-10-6-2/h19-22H,5-18H2,1-4H3
InChIKey
WZCWEBVKSPNNNN-UHFFFAOYSA-N
Compound name
[4-(2-ethylhexanoyloxymethyl)cyclohexyl]methyl 2-ethylhexanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

210
Patents

396.32397 Da
Monoisotopic Mass

7.4
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

No literature data available for this compound.

Patent stripe

patents stripe