CID 504046
1h-tetrazol-5-ylurea
Structural Information
- Molecular Formula
- C2H4N6O
- SMILES
- C1(=NNN=N1)NC(=O)N
- InChI
- InChI=1S/C2H4N6O/c3-1(9)4-2-5-7-8-6-2/h(H4,3,4,5,6,7,8,9)
- InChIKey
- QGFOBPFXLWTDGX-UHFFFAOYSA-N
- Compound name
- 2H-tetrazol-5-ylurea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 129.05194 | 122.0 |
[M+Na]+ | 151.03388 | 130.3 |
[M-H]- | 127.03738 | 119.3 |
[M+NH4]+ | 146.07848 | 138.7 |
[M+K]+ | 167.00782 | 129.0 |
[M+H-H2O]+ | 111.04192 | 113.5 |
[M+HCOO]- | 173.04286 | 143.7 |
[M+CH3COO]- | 187.05851 | 169.7 |
[M+Na-2H]- | 149.01933 | 129.6 |
[M]+ | 128.04411 | 117.8 |
[M]- | 128.04521 | 117.8 |