CID 80503627
3-(aminomethyl)-1-methyl-4,5-dihydro-1h-pyrazol-5-one dihydrochloride
Structural Information
- Molecular Formula
- C5H9N3O
- SMILES
- CN1C(=O)CC(=N1)CN
- InChI
- InChI=1S/C5H9N3O/c1-8-5(9)2-4(3-6)7-8/h2-3,6H2,1H3
- InChIKey
- WHYARFURQHZIJX-UHFFFAOYSA-N
- Compound name
- 5-(aminomethyl)-2-methyl-4H-pyrazol-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 128.08184 | 124.1 |
[M+Na]+ | 150.06378 | 133.4 |
[M-H]- | 126.06728 | 125.1 |
[M+NH4]+ | 145.10838 | 145.2 |
[M+K]+ | 166.03772 | 132.3 |
[M+H-H2O]+ | 110.07182 | 117.6 |
[M+HCOO]- | 172.07276 | 147.5 |
[M+CH3COO]- | 186.08841 | 172.6 |
[M+Na-2H]- | 148.04923 | 128.9 |
[M]+ | 127.07401 | 122.6 |
[M]- | 127.07511 | 122.6 |
Literature stripe
No literature data available for this compound.
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No patent data available for this compound.