CID 82615564
2-amino-3-(7-methyl-1-benzofuran-3-yl)propanoic acid hydrochloride
Structural Information
- Molecular Formula
- C12H13NO3
- SMILES
- CC1=C2C(=CC=C1)C(=CO2)CC(C(=O)O)N
- InChI
- InChI=1S/C12H13NO3/c1-7-3-2-4-9-8(6-16-11(7)9)5-10(13)12(14)15/h2-4,6,10H,5,13H2,1H3,(H,14,15)
- InChIKey
- SQWYJFQYOCIPIG-UHFFFAOYSA-N
- Compound name
- 2-amino-3-(7-methyl-1-benzofuran-3-yl)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 220.09682 | 147.4 |
[M+Na]+ | 242.07876 | 156.0 |
[M-H]- | 218.08226 | 151.6 |
[M+NH4]+ | 237.12336 | 166.4 |
[M+K]+ | 258.05270 | 154.2 |
[M+H-H2O]+ | 202.08680 | 141.9 |
[M+HCOO]- | 264.08774 | 169.8 |
[M+CH3COO]- | 278.10339 | 188.7 |
[M+Na-2H]- | 240.06421 | 151.6 |
[M]+ | 219.08899 | 149.5 |
[M]- | 219.09009 | 149.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.