CID 21416779
P-coumaroyl-diketide
Structural Information
- Molecular Formula
- C11H10O4
- SMILES
- C1=CC(=CC=C1/C=C/C(=O)CC(=O)O)O
- InChI
- InChI=1S/C11H10O4/c12-9-4-1-8(2-5-9)3-6-10(13)7-11(14)15/h1-6,12H,7H2,(H,14,15)/b6-3+
- InChIKey
- VKCHGHDJFMXENE-ZZXKWVIFSA-N
- Compound name
- (E)-5-(4-hydroxyphenyl)-3-oxopent-4-enoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 207.06518 | 144.4 |
[M+Na]+ | 229.04712 | 154.8 |
[M+NH4]+ | 224.09172 | 150.2 |
[M+K]+ | 245.02106 | 150.5 |
[M-H]- | 205.05062 | 143.5 |
[M+Na-2H]- | 227.03257 | 148.3 |
[M]+ | 206.05735 | 145.2 |
[M]- | 206.05845 | 145.2 |
Literature stripe
No literature data available for this compound.