CID 11127419
Vinyl caffeate
Structural Information
- Molecular Formula
- C11H10O4
- SMILES
- C=COC(=O)/C=C/C1=CC(=C(C=C1)O)O
- InChI
- InChI=1S/C11H10O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h2-7,12-13H,1H2/b6-4+
- InChIKey
- XVCVDNKCUNGTRP-GQCTYLIASA-N
- Compound name
- ethenyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 207.06518 | 144.2 |
[M+Na]+ | 229.04712 | 155.4 |
[M+NH4]+ | 224.09172 | 150.2 |
[M+K]+ | 245.02106 | 150.5 |
[M-H]- | 205.05062 | 143.6 |
[M+Na-2H]- | 227.03257 | 148.2 |
[M]+ | 206.05735 | 145.2 |
[M]- | 206.05845 | 145.2 |