CID 10711092
2'-deamino-2'-hydroxyparomamine(2+)
Structural Information
- Molecular Formula
- C12H24N2O8
- SMILES
- C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)N
- InChI
- InChI=1S/C12H24N2O8/c13-3-1-4(14)11(9(19)6(3)16)22-12-10(20)8(18)7(17)5(2-15)21-12/h3-12,15-20H,1-2,13-14H2/t3-,4+,5-,6+,7-,8+,9-,10-,11-,12-/m1/s1
- InChIKey
- KXYGCYIEINSYLN-JCLMPDJQSA-N
- Compound name
- (2S,3R,4S,5S,6R)-2-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 325.16054 | 174.5 |
[M+Na]+ | 347.14248 | 177.7 |
[M-H]- | 323.14598 | 172.8 |
[M+NH4]+ | 342.18708 | 182.5 |
[M+K]+ | 363.11642 | 176.5 |
[M+H-H2O]+ | 307.15052 | 167.9 |
[M+HCOO]- | 369.15146 | 182.6 |
[M+CH3COO]- | 383.16711 | 205.1 |
[M+Na-2H]- | 345.12793 | 169.8 |
[M]+ | 324.15271 | 166.0 |
[M]- | 324.15381 | 166.0 |