CID 3614246
3,5-dimethyl-1h-pyrazol-4-ol
Structural Information
- Molecular Formula
- C5H8N2O
- SMILES
- CC1=C(C(=NN1)C)O
- InChI
- InChI=1S/C5H8N2O/c1-3-5(8)4(2)7-6-3/h8H,1-2H3,(H,6,7)
- InChIKey
- CTXUDADWQSSNSC-UHFFFAOYSA-N
- Compound name
- 3,5-dimethyl-1H-pyrazol-4-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 113.07094 | 120.6 |
[M+Na]+ | 135.05288 | 130.7 |
[M-H]- | 111.05638 | 119.7 |
[M+NH4]+ | 130.09748 | 141.7 |
[M+K]+ | 151.02682 | 128.5 |
[M+H-H2O]+ | 95.060920 | 115.0 |
[M+HCOO]- | 157.06186 | 141.8 |
[M+CH3COO]- | 171.07751 | 163.7 |
[M+Na-2H]- | 133.03833 | 126.0 |
[M]+ | 112.06311 | 119.2 |
[M]- | 112.06421 | 119.2 |