CID 29554820
1-methyl-5-propyl-1h-pyrazole-4-carboxylic acid
Structural Information
- Molecular Formula
- C8H12N2O2
- SMILES
- CCCC1=C(C=NN1C)C(=O)O
- InChI
- InChI=1S/C8H12N2O2/c1-3-4-7-6(8(11)12)5-9-10(7)2/h5H,3-4H2,1-2H3,(H,11,12)
- InChIKey
- SEGBPLNWVCOUIV-UHFFFAOYSA-N
- Compound name
- 1-methyl-5-propylpyrazole-4-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 169.09715 | 136.5 |
[M+Na]+ | 191.07909 | 147.1 |
[M+NH4]+ | 186.12369 | 143.0 |
[M+K]+ | 207.05303 | 144.5 |
[M-H]- | 167.08259 | 135.4 |
[M+Na-2H]- | 189.06454 | 140.2 |
[M]+ | 168.08932 | 137.4 |
[M]- | 168.09042 | 137.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.