CID 108879
3-phenylpropyl 3-phenylpropanoate
Structural Information
- Molecular Formula
- C18H20O2
- SMILES
- C1=CC=C(C=C1)CCCOC(=O)CCC2=CC=CC=C2
- InChI
- InChI=1S/C18H20O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-6,8-11H,7,12-15H2
- InChIKey
- KLDUFQGXXVNTDL-UHFFFAOYSA-N
- Compound name
- 3-phenylpropyl 3-phenylpropanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 269.15361 | 164.7 |
[M+Na]+ | 291.13555 | 169.6 |
[M-H]- | 267.13905 | 170.4 |
[M+NH4]+ | 286.18015 | 180.5 |
[M+K]+ | 307.10949 | 165.6 |
[M+H-H2O]+ | 251.14359 | 156.4 |
[M+HCOO]- | 313.14453 | 187.4 |
[M+CH3COO]- | 327.16018 | 197.4 |
[M+Na-2H]- | 289.12100 | 169.3 |
[M]+ | 268.14578 | 166.5 |
[M]- | 268.14688 | 166.5 |