CID 394247
Nsc697575
Structural Information
- Molecular Formula
- C4H13N3O7P2
- SMILES
- C(CN=C(N)N)C(O)(P(=O)(O)O)P(=O)(O)O
- InChI
- InChI=1S/C4H13N3O7P2/c5-3(6)7-2-1-4(8,15(9,10)11)16(12,13)14/h8H,1-2H2,(H4,5,6,7)(H2,9,10,11)(H2,12,13,14)
- InChIKey
- AOIXVCKLMKQFPC-UHFFFAOYSA-N
- Compound name
- [3-(diaminomethylideneamino)-1-hydroxy-1-phosphonopropyl]phosphonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 278.03018 | 158.1 |
[M+Na]+ | 300.01212 | 161.0 |
[M-H]- | 276.01562 | 149.7 |
[M+NH4]+ | 295.05672 | 143.2 |
[M+K]+ | 315.98606 | 161.3 |
[M+H-H2O]+ | 260.02016 | 148.8 |
[M+HCOO]- | 322.02110 | 158.9 |
[M+CH3COO]- | 336.03675 | 194.7 |
[M+Na-2H]- | 297.99757 | 160.2 |
[M]+ | 277.02235 | 154.0 |
[M]- | 277.02345 | 154.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.