CID 76871820
42016-08-0
Structural Information
- Molecular Formula
- C22H42O10S
- SMILES
- CCCCCCCCCCCCOCCOCCOCCC(C(C(=O)O)S(=O)(=O)O)C(=O)O
- InChI
- InChI=1S/C22H42O10S/c1-2-3-4-5-6-7-8-9-10-11-13-30-15-17-32-18-16-31-14-12-19(21(23)24)20(22(25)26)33(27,28)29/h19-20H,2-18H2,1H3,(H,23,24)(H,25,26)(H,27,28,29)
- InChIKey
- WBEKTRMJHXEKBM-UHFFFAOYSA-N
- Compound name
- 2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethyl]-3-sulfobutanedioic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 499.25716 | 223.2 |
[M+Na]+ | 521.23910 | 224.3 |
[M-H]- | 497.24260 | 217.9 |
[M+NH4]+ | 516.28370 | 227.0 |
[M+K]+ | 537.21304 | 222.6 |
[M+H-H2O]+ | 481.24714 | 221.4 |
[M+HCOO]- | 543.24808 | 225.1 |
[M+CH3COO]- | 557.26373 | 231.3 |
[M+Na-2H]- | 519.22455 | 209.2 |
[M]+ | 498.24933 | 224.2 |
[M]- | 498.25043 | 224.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.