CID 2138
Amido phenyl pyruvic acid
Structural Information
- Molecular Formula
- C10H10N2O3
- SMILES
- C1=CC(=CC=C1CC(=O)C(=O)O)C(=N)N
- InChI
- InChI=1S/C10H10N2O3/c11-9(12)7-3-1-6(2-4-7)5-8(13)10(14)15/h1-4H,5H2,(H3,11,12)(H,14,15)
- InChIKey
- ZXBYWYQEQQBMBT-UHFFFAOYSA-N
- Compound name
- 3-(4-carbamimidoylphenyl)-2-oxopropanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 207.07642 | 143.9 |
[M+Na]+ | 229.05836 | 149.5 |
[M-H]- | 205.06186 | 145.8 |
[M+NH4]+ | 224.10296 | 160.7 |
[M+K]+ | 245.03230 | 147.4 |
[M+H-H2O]+ | 189.06640 | 137.5 |
[M+HCOO]- | 251.06734 | 166.2 |
[M+CH3COO]- | 265.08299 | 188.7 |
[M+Na-2H]- | 227.04381 | 146.0 |
[M]+ | 206.06859 | 140.3 |
[M]- | 206.06969 | 140.3 |