CID 28730
17753-05-8
Structural Information
- Molecular Formula
- C18H20O6
- SMILES
- CC1=CC=CC=C1OCC(COC(=O)COC2=CC=CC=C2O)O
- InChI
- InChI=1S/C18H20O6/c1-13-6-2-4-8-16(13)22-10-14(19)11-24-18(21)12-23-17-9-5-3-7-15(17)20/h2-9,14,19-20H,10-12H2,1H3
- InChIKey
- GQMHTLIBJICFID-UHFFFAOYSA-N
- Compound name
- [2-hydroxy-3-(2-methylphenoxy)propyl] 2-(2-hydroxyphenoxy)acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 333.13326 | 176.1 |
[M+Na]+ | 355.11520 | 180.9 |
[M-H]- | 331.11870 | 179.8 |
[M+NH4]+ | 350.15980 | 187.9 |
[M+K]+ | 371.08914 | 178.8 |
[M+H-H2O]+ | 315.12324 | 167.8 |
[M+HCOO]- | 377.12418 | 195.5 |
[M+CH3COO]- | 391.13983 | 204.1 |
[M+Na-2H]- | 353.10065 | 177.5 |
[M]+ | 332.12543 | 180.2 |
[M]- | 332.12653 | 180.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.