CID 57375652
Bis(2-ethoxybenzoyl) nonanedioate
Structural Information
- Molecular Formula
- C27H32O8
- SMILES
- CCOC1=CC=CC=C1C(=O)OC(=O)CCCCCCCC(=O)OC(=O)C2=CC=CC=C2OCC
- InChI
- InChI=1S/C27H32O8/c1-3-32-22-16-12-10-14-20(22)26(30)34-24(28)18-8-6-5-7-9-19-25(29)35-27(31)21-15-11-13-17-23(21)33-4-2/h10-17H,3-9,18-19H2,1-2H3
- InChIKey
- OMIDTLXLZCJWDM-UHFFFAOYSA-N
- Compound name
- bis(2-ethoxybenzoyl) nonanedioate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 485.21700 | 217.7 |
[M+Na]+ | 507.19894 | 219.4 |
[M-H]- | 483.20244 | 222.5 |
[M+NH4]+ | 502.24354 | 224.1 |
[M+K]+ | 523.17288 | 218.0 |
[M+H-H2O]+ | 467.20698 | 207.2 |
[M+HCOO]- | 529.20792 | 235.8 |
[M+CH3COO]- | 543.22357 | 236.8 |
[M+Na-2H]- | 505.18439 | 213.4 |
[M]+ | 484.20917 | 227.7 |
[M]- | 484.21027 | 227.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.