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

compound 2d structure
2
Annotation Hits

1
References

8
Patents

324.15326 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe