CID 45588614
1257878-78-6
Structural Information
- Molecular Formula
- C7H9BrN2O2
- SMILES
- CC(C)C1=C(C(=NN1)C(=O)O)Br
- InChI
- InChI=1S/C7H9BrN2O2/c1-3(2)5-4(8)6(7(11)12)10-9-5/h3H,1-2H3,(H,9,10)(H,11,12)
- InChIKey
- WUTSFEOMMZCXFZ-UHFFFAOYSA-N
- Compound name
- 4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 232.99202 | 142.1 |
[M+Na]+ | 254.97396 | 154.1 |
[M-H]- | 230.97746 | 144.0 |
[M+NH4]+ | 250.01856 | 161.8 |
[M+K]+ | 270.94790 | 143.1 |
[M+H-H2O]+ | 214.98200 | 141.8 |
[M+HCOO]- | 276.98294 | 159.0 |
[M+CH3COO]- | 290.99859 | 183.3 |
[M+Na-2H]- | 252.95941 | 145.4 |
[M]+ | 231.98419 | 159.5 |
[M]- | 231.98529 | 159.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.