CID 17081

Didecyl sebacate

Structural Information

Molecular Formula
C30H58O4
SMILES
CCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCC
InChI
InChI=1S/C30H58O4/c1-3-5-7-9-11-15-19-23-27-33-29(31)25-21-17-13-14-18-22-26-30(32)34-28-24-20-16-12-10-8-6-4-2/h3-28H2,1-2H3
InChIKey
HTMDHERCQUESGS-UHFFFAOYSA-N
Compound name
didecyl decanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

485
Patents

482.4335 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.44078 237.0
[M+Na]+ 505.42272 238.1
[M+NH4]+ 500.46732 237.3
[M+K]+ 521.39666 236.5
[M-H]- 481.42622 222.2
[M+Na-2H]- 503.40817 237.3
[M]+ 482.43295 233.0
[M]- 482.43405 233.0
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