CID 3080554
Homoquinolinic acid
Structural Information
- Molecular Formula
- C8H7NO4
- SMILES
- C1=CC(=C(N=C1)C(=O)O)CC(=O)O
- InChI
- InChI=1S/C8H7NO4/c10-6(11)4-5-2-1-3-9-7(5)8(12)13/h1-3H,4H2,(H,10,11)(H,12,13)
- InChIKey
- HQPMJFFEXJELOQ-UHFFFAOYSA-N
- Compound name
- 3-(carboxymethyl)pyridine-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 182.04478 | 134.4 |
[M+Na]+ | 204.02672 | 142.2 |
[M-H]- | 180.03022 | 134.4 |
[M+NH4]+ | 199.07132 | 151.4 |
[M+K]+ | 220.00066 | 140.5 |
[M+H-H2O]+ | 164.03476 | 128.3 |
[M+HCOO]- | 226.03570 | 154.3 |
[M+CH3COO]- | 240.05135 | 175.2 |
[M+Na-2H]- | 202.01217 | 139.1 |
[M]+ | 181.03695 | 134.2 |
[M]- | 181.03805 | 134.2 |