CID 10035947
111376-50-2
Structural Information
- Molecular Formula
- C11H12O4
- SMILES
- COC(=O)C1=CC=CC(=C1)CCC(=O)O
- InChI
- InChI=1S/C11H12O4/c1-15-11(14)9-4-2-3-8(7-9)5-6-10(12)13/h2-4,7H,5-6H2,1H3,(H,12,13)
- InChIKey
- OFPPVELHHQODQJ-UHFFFAOYSA-N
- Compound name
- 3-(3-methoxycarbonylphenyl)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 209.08084 | 143.5 |
[M+Na]+ | 231.06278 | 150.5 |
[M-H]- | 207.06628 | 145.9 |
[M+NH4]+ | 226.10738 | 161.6 |
[M+K]+ | 247.03672 | 149.1 |
[M+H-H2O]+ | 191.07082 | 137.6 |
[M+HCOO]- | 253.07176 | 165.2 |
[M+CH3COO]- | 267.08741 | 183.3 |
[M+Na-2H]- | 229.04823 | 147.0 |
[M]+ | 208.07301 | 145.7 |
[M]- | 208.07411 | 145.7 |
Literature stripe
No literature data available for this compound.