CID 132343896
2138290-93-2
Structural Information
- Molecular Formula
- C12H13NO3
- SMILES
- COC(=O)C1=CC2=C(C=C1)C=C(O2)CCN
- InChI
- InChI=1S/C12H13NO3/c1-15-12(14)9-3-2-8-6-10(4-5-13)16-11(8)7-9/h2-3,6-7H,4-5,13H2,1H3
- InChIKey
- DQQCXQNBIGMWMG-UHFFFAOYSA-N
- Compound name
- methyl 2-(2-aminoethyl)-1-benzofuran-6-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 220.09682 | 146.5 |
[M+Na]+ | 242.07876 | 156.0 |
[M-H]- | 218.08226 | 152.1 |
[M+NH4]+ | 237.12336 | 166.4 |
[M+K]+ | 258.05270 | 154.6 |
[M+H-H2O]+ | 202.08680 | 140.7 |
[M+HCOO]- | 264.08774 | 171.5 |
[M+CH3COO]- | 278.10339 | 189.5 |
[M+Na-2H]- | 240.06421 | 152.4 |
[M]+ | 219.08899 | 151.1 |
[M]- | 219.09009 | 151.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.