CID 80098
94087-48-6
Structural Information
- Molecular Formula
- C10H25NO6P2
- SMILES
- CCCCCCCCN(CP(=O)(O)O)CP(=O)(O)O
- InChI
- InChI=1S/C10H25NO6P2/c1-2-3-4-5-6-7-8-11(9-18(12,13)14)10-19(15,16)17/h2-10H2,1H3,(H2,12,13,14)(H2,15,16,17)
- InChIKey
- YUABCDNZADIENZ-UHFFFAOYSA-N
- Compound name
- [octyl(phosphonomethyl)amino]methylphosphonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 318.12300 | 180.8 |
[M+Na]+ | 340.10494 | 183.5 |
[M-H]- | 316.10844 | 174.0 |
[M+NH4]+ | 335.14954 | 174.8 |
[M+K]+ | 356.07888 | 182.6 |
[M+H-H2O]+ | 300.11298 | 171.0 |
[M+HCOO]- | 362.11392 | 189.9 |
[M+CH3COO]- | 376.12957 | 203.2 |
[M+Na-2H]- | 338.09039 | 179.7 |
[M]+ | 317.11517 | 170.4 |
[M]- | 317.11627 | 170.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.