CID 117852

Dipentadecyl adipate

Structural Information

Molecular Formula
C36H70O4
SMILES
CCCCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCCCC
InChI
InChI=1S/C36H70O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-33-39-35(37)31-27-28-32-36(38)40-34-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3
InChIKey
OHRKDLWUOVWNLM-UHFFFAOYSA-N
Compound name
dipentadecyl hexanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

566.5274 Da
Monoisotopic Mass

15.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.53468 257.4
[M+Na]+ 589.51662 257.9
[M+NH4]+ 584.56122 257.5
[M+K]+ 605.49056 257.5
[M-H]- 565.52012 240.6
[M+Na-2H]- 587.50207 255.7
[M]+ 566.52685 252.9
[M]- 566.52795 252.9
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