CID 3020104

Bis(3-cyclohexylpropyl) adipate

Structural Information

Molecular Formula
C24H42O4
SMILES
C1CCC(CC1)CCCOC(=O)CCCCC(=O)OCCCC2CCCCC2
InChI
InChI=1S/C24H42O4/c25-23(27-19-9-15-21-11-3-1-4-12-21)17-7-8-18-24(26)28-20-10-16-22-13-5-2-6-14-22/h21-22H,1-20H2
InChIKey
LVUGJOSLIZEIRL-UHFFFAOYSA-N
Compound name
bis(3-cyclohexylpropyl) hexanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.30832 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.315596 204.6
[M+Na]+ 417.297538 200.4
[M-H]- 393.301044 206.5
[M+NH4]+ 412.342143 214.2
[M+K]+ 433.271478 197.4
[M+H-H2O]+ 377.305580 195.0
[M+HCOO]- 439.306521 215.9
[M+CH3COO]- 453.322171 220.8
[M+Na-2H]- 415.282986 198.9
[M]+ 394.30777142 201.4
[M]- 394.30886858 201.4
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.