CID 3238023
5-(piperidin-4-yl)-2,3-dihydro-1h-pyrazol-3-one dihydrochloride
Structural Information
- Molecular Formula
- C8H13N3O
- SMILES
- C1CNCCC1C2=CC(=O)NN2
- InChI
- InChI=1S/C8H13N3O/c12-8-5-7(10-11-8)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H2,10,11,12)
- InChIKey
- ZEIPMWRDENQLAY-UHFFFAOYSA-N
- Compound name
- 5-piperidin-4-yl-1,2-dihydropyrazol-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 168.11315 | 137.4 |
[M+Na]+ | 190.09509 | 143.4 |
[M-H]- | 166.09859 | 135.5 |
[M+NH4]+ | 185.13969 | 153.1 |
[M+K]+ | 206.06903 | 138.6 |
[M+H-H2O]+ | 150.10313 | 129.4 |
[M+HCOO]- | 212.10407 | 152.1 |
[M+CH3COO]- | 226.11972 | 147.6 |
[M+Na-2H]- | 188.08054 | 140.6 |
[M]+ | 167.10532 | 127.9 |
[M]- | 167.10642 | 127.9 |
Literature stripe
Patent stripe
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