CID 83346
6-methylpyridazin-3(2h)-one
Structural Information
- Molecular Formula
- C5H6N2O
- SMILES
- CC1=NNC(=O)C=C1
- InChI
- InChI=1S/C5H6N2O/c1-4-2-3-5(8)7-6-4/h2-3H,1H3,(H,7,8)
- InChIKey
- QZWIXLPWMGHDDD-UHFFFAOYSA-N
- Compound name
- 3-methyl-1H-pyridazin-6-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 111.05529 | 117.4 |
[M+Na]+ | 133.03723 | 127.5 |
[M-H]- | 109.04073 | 117.7 |
[M+NH4]+ | 128.08183 | 137.2 |
[M+K]+ | 149.01117 | 125.3 |
[M+H-H2O]+ | 93.045270 | 111.3 |
[M+HCOO]- | 155.04621 | 139.6 |
[M+CH3COO]- | 169.06186 | 164.2 |
[M+Na-2H]- | 131.02268 | 126.7 |
[M]+ | 110.04746 | 116.2 |
[M]- | 110.04856 | 116.2 |