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
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 483.44078 | 234.4 |
[M+Na]+ | 505.42272 | 240.9 |
[M-H]- | 481.42622 | 220.7 |
[M+NH4]+ | 500.46732 | 236.4 |
[M+K]+ | 521.39666 | 239.6 |
[M+H-H2O]+ | 465.43076 | 235.7 |
[M+HCOO]- | 527.43170 | 242.5 |
[M+CH3COO]- | 541.44735 | 244.3 |
[M+Na-2H]- | 503.40817 | 221.1 |
[M]+ | 482.43295 | 235.5 |
[M]- | 482.43405 | 235.5 |