CID 1550890
Cinnamyl cinnamate
Structural Information
- Molecular Formula
- C18H16O2
- SMILES
- C1=CC=C(C=C1)/C=C/COC(=O)/C=C/C2=CC=CC=C2
- InChI
- InChI=1S/C18H16O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-14H,15H2/b12-7+,14-13+
- InChIKey
- NQBWNECTZUOWID-MZXMXVKLSA-N
- Compound name
- [(E)-3-phenylprop-2-enyl] (E)-3-phenylprop-2-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 265.12230 | 162.7 |
[M+Na]+ | 287.10424 | 168.3 |
[M-H]- | 263.10774 | 168.5 |
[M+NH4]+ | 282.14884 | 178.6 |
[M+K]+ | 303.07818 | 163.2 |
[M+H-H2O]+ | 247.11228 | 154.6 |
[M+HCOO]- | 309.11322 | 185.7 |
[M+CH3COO]- | 323.12887 | 194.5 |
[M+Na-2H]- | 285.08969 | 167.3 |
[M]+ | 264.11447 | 162.9 |
[M]- | 264.11557 | 162.9 |