CID 135408770
Ammeline
Structural Information
- Molecular Formula
- C3H5N5O
- SMILES
- C1(=NC(=NC(=O)N1)N)N
- InChI
- InChI=1S/C3H5N5O/c4-1-6-2(5)8-3(9)7-1/h(H5,4,5,6,7,8,9)
- InChIKey
- MASBWURJQFFLOO-UHFFFAOYSA-N
- Compound name
- 4,6-diamino-1H-1,3,5-triazin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 128.05669 | 123.0 |
[M+Na]+ | 150.03863 | 133.2 |
[M-H]- | 126.04213 | 121.5 |
[M+NH4]+ | 145.08323 | 139.7 |
[M+K]+ | 166.01257 | 130.2 |
[M+H-H2O]+ | 110.04667 | 115.7 |
[M+HCOO]- | 172.04761 | 145.2 |
[M+CH3COO]- | 186.06326 | 171.2 |
[M+Na-2H]- | 148.02408 | 131.0 |
[M]+ | 127.04886 | 118.4 |
[M]- | 127.04996 | 118.4 |