CID 191414
Ethyl 4-(benzyloxy)benzoate
Structural Information
- Molecular Formula
- C16H16O3
- SMILES
- CCOC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2
- InChI
- InChI=1S/C16H16O3/c1-2-18-16(17)14-8-10-15(11-9-14)19-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
- InChIKey
- UMOKJIWMQFEFJE-UHFFFAOYSA-N
- Compound name
- ethyl 4-phenylmethoxybenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 257.11723 | 158.2 |
[M+Na]+ | 279.09917 | 164.8 |
[M-H]- | 255.10267 | 164.7 |
[M+NH4]+ | 274.14377 | 174.7 |
[M+K]+ | 295.07311 | 162.0 |
[M+H-H2O]+ | 239.10721 | 150.3 |
[M+HCOO]- | 301.10815 | 181.8 |
[M+CH3COO]- | 315.12380 | 194.6 |
[M+Na-2H]- | 277.08462 | 163.2 |
[M]+ | 256.10940 | 161.2 |
[M]- | 256.11050 | 161.2 |