CID 5319562
Methyl p-coumarate
Structural Information
- Molecular Formula
- C10H10O3
- SMILES
- COC(=O)/C=C/C1=CC=C(C=C1)O
- InChI
- InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3/b7-4+
- InChIKey
- NITWSHWHQAQBAW-QPJJXVBHSA-N
- Compound name
- methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 179.07027 | 136.0 |
[M+Na]+ | 201.05221 | 143.9 |
[M-H]- | 177.05571 | 138.6 |
[M+NH4]+ | 196.09681 | 155.6 |
[M+K]+ | 217.02615 | 141.8 |
[M+H-H2O]+ | 161.06025 | 130.6 |
[M+HCOO]- | 223.06119 | 158.9 |
[M+CH3COO]- | 237.07684 | 176.6 |
[M+Na-2H]- | 199.03766 | 141.3 |
[M]+ | 178.06244 | 137.0 |
[M]- | 178.06354 | 137.0 |