CID 136743994
Dtxsid001028358
Structural Information
- Molecular Formula
- C5H7N5O2
- SMILES
- CC1=NC(=NC(=O)N1)NC(=O)N
- InChI
- InChI=1S/C5H7N5O2/c1-2-7-4(9-3(6)11)10-5(12)8-2/h1H3,(H4,6,7,8,9,10,11,12)
- InChIKey
- RSADICMKYUSBLM-UHFFFAOYSA-N
- Compound name
- (2-methyl-6-oxo-1H-1,3,5-triazin-4-yl)urea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 170.06725 | 133.7 |
[M+Na]+ | 192.04919 | 143.0 |
[M-H]- | 168.05269 | 132.6 |
[M+NH4]+ | 187.09379 | 148.9 |
[M+K]+ | 208.02313 | 140.4 |
[M+H-H2O]+ | 152.05723 | 126.0 |
[M+HCOO]- | 214.05817 | 155.4 |
[M+CH3COO]- | 228.07382 | 179.4 |
[M+Na-2H]- | 190.03464 | 140.6 |
[M]+ | 169.05942 | 130.9 |
[M]- | 169.06052 | 130.9 |
Literature stripe
Patent stripe
No patent data available for this compound.