CID 82418504
5-cyano-1,2-oxazole-3-carboxylic acid
Structural Information
- Molecular Formula
- C5H2N2O3
- SMILES
- C1=C(ON=C1C(=O)O)C#N
- InChI
- InChI=1S/C5H2N2O3/c6-2-3-1-4(5(8)9)7-10-3/h1H,(H,8,9)
- InChIKey
- UHAULYQZAGMLBN-UHFFFAOYSA-N
- Compound name
- 5-cyano-1,2-oxazole-3-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 139.01383 | 122.2 |
[M+Na]+ | 160.99577 | 133.1 |
[M-H]- | 136.99927 | 123.7 |
[M+NH4]+ | 156.04037 | 140.0 |
[M+K]+ | 176.96971 | 132.9 |
[M+H-H2O]+ | 121.00381 | 109.5 |
[M+HCOO]- | 183.00475 | 141.2 |
[M+CH3COO]- | 197.02040 | 181.3 |
[M+Na-2H]- | 158.98122 | 128.3 |
[M]+ | 138.00600 | 118.5 |
[M]- | 138.00710 | 118.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.