CID 75968

Ditridecyl sebacate

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

105
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