CID 544840
56804-98-9
Structural Information
- Molecular Formula
- C4H5N3O
- SMILES
- CC1=NC(=NN1)C=O
- InChI
- InChI=1S/C4H5N3O/c1-3-5-4(2-8)7-6-3/h2H,1H3,(H,5,6,7)
- InChIKey
- TXNWXXKJPZYOKA-UHFFFAOYSA-N
- Compound name
- 5-methyl-1H-1,2,4-triazole-3-carbaldehyde
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 112.05054 | 118.9 |
[M+Na]+ | 134.03248 | 129.3 |
[M-H]- | 110.03598 | 117.7 |
[M+NH4]+ | 129.07708 | 139.0 |
[M+K]+ | 150.00642 | 127.6 |
[M+H-H2O]+ | 94.040520 | 112.0 |
[M+HCOO]- | 156.04146 | 140.8 |
[M+CH3COO]- | 170.05711 | 164.2 |
[M+Na-2H]- | 132.01793 | 126.0 |
[M]+ | 111.04271 | 118.5 |
[M]- | 111.04381 | 118.5 |
Literature stripe
No literature data available for this compound.