CID 10336127
Tamiphosphor
Structural Information
- Molecular Formula
- C13H25N2O5P
- SMILES
- CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)P(=O)(O)O
- InChI
- InChI=1S/C13H25N2O5P/c1-4-9(5-2)20-12-7-10(21(17,18)19)6-11(14)13(12)15-8(3)16/h7,9,11-13H,4-6,14H2,1-3H3,(H,15,16)(H2,17,18,19)/t11-,12+,13+/m0/s1
- InChIKey
- MSIIIHISTLWEPM-YNEHKIRRSA-N
- Compound name
- [(3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexen-1-yl]phosphonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 321.15740 | 175.8 |
[M+Na]+ | 343.13934 | 178.8 |
[M-H]- | 319.14284 | 174.3 |
[M+NH4]+ | 338.18394 | 188.4 |
[M+K]+ | 359.11328 | 177.8 |
[M+H-H2O]+ | 303.14738 | 167.3 |
[M+HCOO]- | 365.14832 | 197.2 |
[M+CH3COO]- | 379.16397 | 210.1 |
[M+Na-2H]- | 341.12479 | 171.8 |
[M]+ | 320.14957 | 174.3 |
[M]- | 320.15067 | 174.3 |