CID 60136699
1-ethyl-4-iodo-5-methyl-1h-pyrazole-3-carboxylic acid
Structural Information
- Molecular Formula
- C7H9IN2O2
- SMILES
- CCN1C(=C(C(=N1)C(=O)O)I)C
- InChI
- InChI=1S/C7H9IN2O2/c1-3-10-4(2)5(8)6(9-10)7(11)12/h3H2,1-2H3,(H,11,12)
- InChIKey
- GCGRVEYXRKGTEH-UHFFFAOYSA-N
- Compound name
- 1-ethyl-4-iodo-5-methylpyrazole-3-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 280.97818 | 140.9 |
[M+Na]+ | 302.96012 | 144.0 |
[M-H]- | 278.96362 | 134.8 |
[M+NH4]+ | 298.00472 | 155.5 |
[M+K]+ | 318.93406 | 148.2 |
[M+H-H2O]+ | 262.96816 | 131.4 |
[M+HCOO]- | 324.96910 | 157.3 |
[M+CH3COO]- | 338.98475 | 187.1 |
[M+Na-2H]- | 300.94557 | 131.9 |
[M]+ | 279.97035 | 140.2 |
[M]- | 279.97145 | 140.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.