CID 19619402
1-(1-methyl-4-nitro-1h-pyrazol-5-yl)ethanone
Structural Information
- Molecular Formula
- C6H7N3O3
- SMILES
- CC(=O)C1=C(C=NN1C)[N+](=O)[O-]
- InChI
- InChI=1S/C6H7N3O3/c1-4(10)6-5(9(11)12)3-7-8(6)2/h3H,1-2H3
- InChIKey
- IEPWZWOJPQMRHI-UHFFFAOYSA-N
- Compound name
- 1-(2-methyl-4-nitropyrazol-3-yl)ethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 170.05602 | 131.6 |
[M+Na]+ | 192.03796 | 143.1 |
[M+NH4]+ | 187.08256 | 138.1 |
[M+K]+ | 208.01190 | 143.7 |
[M-H]- | 168.04146 | 132.0 |
[M+Na-2H]- | 190.02341 | 135.7 |
[M]+ | 169.04819 | 132.9 |
[M]- | 169.04929 | 132.9 |
Literature stripe
No literature data available for this compound.