CID 22337638
2-(isoquinolin-5-yl)propanoic acid
Structural Information
- Molecular Formula
- C12H11NO2
- SMILES
- CC(C1=CC=CC2=C1C=CN=C2)C(=O)O
- InChI
- InChI=1S/C12H11NO2/c1-8(12(14)15)10-4-2-3-9-7-13-6-5-11(9)10/h2-8H,1H3,(H,14,15)
- InChIKey
- PMASUGZCKDDXNJ-UHFFFAOYSA-N
- Compound name
- 2-isoquinolin-5-ylpropanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 202.08626 | 142.2 |
[M+Na]+ | 224.06820 | 149.9 |
[M-H]- | 200.07170 | 144.1 |
[M+NH4]+ | 219.11280 | 160.2 |
[M+K]+ | 240.04214 | 146.9 |
[M+H-H2O]+ | 184.07624 | 135.5 |
[M+HCOO]- | 246.07718 | 161.5 |
[M+CH3COO]- | 260.09283 | 183.9 |
[M+Na-2H]- | 222.05365 | 148.6 |
[M]+ | 201.07843 | 141.9 |
[M]- | 201.07953 | 141.9 |
Literature stripe
No literature data available for this compound.