CID 112573
Einecs 263-900-4
Structural Information
- Molecular Formula
- C16H22O6
- SMILES
- CCOC(=O)CC(C1=CC=C(C=C1)C(CC(=O)OCC)O)O
- InChI
- InChI=1S/C16H22O6/c1-3-21-15(19)9-13(17)11-5-7-12(8-6-11)14(18)10-16(20)22-4-2/h5-8,13-14,17-18H,3-4,9-10H2,1-2H3
- InChIKey
- YQKIPPOWPUMQJF-UHFFFAOYSA-N
- Compound name
- ethyl 3-[4-(3-ethoxy-1-hydroxy-3-oxopropyl)phenyl]-3-hydroxypropanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 311.14891 | 172.7 |
[M+Na]+ | 333.13085 | 176.3 |
[M-H]- | 309.13435 | 172.7 |
[M+NH4]+ | 328.17545 | 185.5 |
[M+K]+ | 349.10479 | 175.3 |
[M+H-H2O]+ | 293.13889 | 165.8 |
[M+HCOO]- | 355.13983 | 189.6 |
[M+CH3COO]- | 369.15548 | 201.4 |
[M+Na-2H]- | 331.11630 | 170.7 |
[M]+ | 310.14108 | 176.3 |
[M]- | 310.14218 | 176.3 |
Literature stripe
Patent stripe
No patent data available for this compound.