CID 154700010
Ns00117725
Structural Information
- Molecular Formula
- C14H18O7
- SMILES
- CCC1=CC=C(C=C1)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
- InChI
- InChI=1S/C14H18O7/c1-2-7-3-5-8(6-4-7)20-14-11(17)9(15)10(16)12(21-14)13(18)19/h3-6,9-12,14-17H,2H2,1H3,(H,18,19)/t9-,10-,11+,12-,14?/m0/s1
- InChIKey
- VCVXAAYLLIDUGA-ZAOAHOKWSA-N
- Compound name
- (2S,3S,4S,5R)-6-(4-ethylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 299.11254 | 164.9 |
[M+Na]+ | 321.09448 | 170.6 |
[M-H]- | 297.09798 | 167.2 |
[M+NH4]+ | 316.13908 | 176.1 |
[M+K]+ | 337.06842 | 169.4 |
[M+H-H2O]+ | 281.10252 | 158.3 |
[M+HCOO]- | 343.10346 | 178.5 |
[M+CH3COO]- | 357.11911 | 195.4 |
[M+Na-2H]- | 319.07993 | 164.9 |
[M]+ | 298.10471 | 164.0 |
[M]- | 298.10581 | 164.0 |
Literature stripe
Patent stripe
No patent data available for this compound.