CID 3525469
79831-86-0
Structural Information
- Molecular Formula
- C15H14O5
- SMILES
- COC(=O)C1=CC(=C(C(=C1)OCC2=CC=CC=C2)O)O
- InChI
- InChI=1S/C15H14O5/c1-19-15(18)11-7-12(16)14(17)13(8-11)20-9-10-5-3-2-4-6-10/h2-8,16-17H,9H2,1H3
- InChIKey
- PUIWZZWMNAHWJG-UHFFFAOYSA-N
- Compound name
- methyl 3,4-dihydroxy-5-phenylmethoxybenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 275.09142 | 159.4 |
[M+Na]+ | 297.07336 | 167.0 |
[M-H]- | 273.07686 | 164.0 |
[M+NH4]+ | 292.11796 | 174.2 |
[M+K]+ | 313.04730 | 164.2 |
[M+H-H2O]+ | 257.08140 | 152.1 |
[M+HCOO]- | 319.08234 | 180.6 |
[M+CH3COO]- | 333.09799 | 193.4 |
[M+Na-2H]- | 295.05881 | 162.7 |
[M]+ | 274.08359 | 162.0 |
[M]- | 274.08469 | 162.0 |
Literature stripe
No literature data available for this compound.