CID 14177089
101301-18-2
Structural Information
- Molecular Formula
- C11H11NO3
- SMILES
- C1CN(C(=O)C2=CC=CC=C21)CC(=O)O
- InChI
- InChI=1S/C11H11NO3/c13-10(14)7-12-6-5-8-3-1-2-4-9(8)11(12)15/h1-4H,5-7H2,(H,13,14)
- InChIKey
- JWSUYYYSEWWBFM-UHFFFAOYSA-N
- Compound name
- 2-(1-oxo-3,4-dihydroisoquinolin-2-yl)acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 206.08118 | 141.9 |
[M+Na]+ | 228.06312 | 149.3 |
[M-H]- | 204.06662 | 143.5 |
[M+NH4]+ | 223.10772 | 159.8 |
[M+K]+ | 244.03706 | 146.5 |
[M+H-H2O]+ | 188.07116 | 135.3 |
[M+HCOO]- | 250.07210 | 160.0 |
[M+CH3COO]- | 264.08775 | 183.2 |
[M+Na-2H]- | 226.04857 | 147.3 |
[M]+ | 205.07335 | 140.1 |
[M]- | 205.07445 | 140.1 |
Literature stripe
No literature data available for this compound.