CID 45791205
1-allyl-1h-pyrazole-4-carbaldehyde
Structural Information
- Molecular Formula
- C7H8N2O
- SMILES
- C=CCN1C=C(C=N1)C=O
- InChI
- InChI=1S/C7H8N2O/c1-2-3-9-5-7(6-10)4-8-9/h2,4-6H,1,3H2
- InChIKey
- LIMBCPYABYDBSX-UHFFFAOYSA-N
- Compound name
- 1-prop-2-enylpyrazole-4-carbaldehyde
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 137.07094 | 125.8 |
[M+Na]+ | 159.05288 | 135.5 |
[M-H]- | 135.05638 | 127.0 |
[M+NH4]+ | 154.09748 | 146.9 |
[M+K]+ | 175.02682 | 133.6 |
[M+H-H2O]+ | 119.06092 | 119.1 |
[M+HCOO]- | 181.06186 | 149.7 |
[M+CH3COO]- | 195.07751 | 172.1 |
[M+Na-2H]- | 157.03833 | 131.9 |
[M]+ | 136.06311 | 127.1 |
[M]- | 136.06421 | 127.1 |
Literature stripe
No literature data available for this compound.