CID 91819954
[5-(aminomethyl)furan-3-yl]methyl diphosphate
Structural Information
- Molecular Formula
- C6H11NO8P2
- SMILES
- C1=C(OC=C1COP(=O)(O)OP(=O)(O)O)CN
- InChI
- InChI=1S/C6H11NO8P2/c7-2-6-1-5(3-13-6)4-14-17(11,12)15-16(8,9)10/h1,3H,2,4,7H2,(H,11,12)(H2,8,9,10)
- InChIKey
- CWYTWLWLMJSIBB-UHFFFAOYSA-N
- Compound name
- [5-(aminomethyl)furan-3-yl]methyl phosphono hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 288.00328 | 158.8 |
[M+Na]+ | 309.98522 | 164.1 |
[M-H]- | 285.98872 | 156.3 |
[M+NH4]+ | 305.02982 | 172.5 |
[M+K]+ | 325.95916 | 165.5 |
[M+H-H2O]+ | 269.99326 | 149.0 |
[M+HCOO]- | 331.99420 | 188.3 |
[M+CH3COO]- | 346.00985 | 191.6 |
[M+Na-2H]- | 307.97067 | 161.9 |
[M]+ | 286.99545 | 162.4 |
[M]- | 286.99655 | 162.4 |
Literature stripe
Patent stripe
No patent data available for this compound.