CID 83824278
5-bromo-3-methoxy-1-methyl-1h-pyrazole-4-carboxylic acid
Structural Information
- Molecular Formula
- C6H7BrN2O3
- SMILES
- CN1C(=C(C(=N1)OC)C(=O)O)Br
- InChI
- InChI=1S/C6H7BrN2O3/c1-9-4(7)3(6(10)11)5(8-9)12-2/h1-2H3,(H,10,11)
- InChIKey
- HLVITVHVNZZHDO-UHFFFAOYSA-N
- Compound name
- 5-bromo-3-methoxy-1-methylpyrazole-4-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 234.97128 | 137.5 |
[M+Na]+ | 256.95322 | 151.3 |
[M-H]- | 232.95672 | 141.1 |
[M+NH4]+ | 251.99782 | 158.0 |
[M+K]+ | 272.92716 | 141.4 |
[M+H-H2O]+ | 216.96126 | 137.2 |
[M+HCOO]- | 278.96220 | 157.2 |
[M+CH3COO]- | 292.97785 | 185.1 |
[M+Na-2H]- | 254.93867 | 142.5 |
[M]+ | 233.96345 | 158.6 |
[M]- | 233.96455 | 158.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.