CID 22833535

Galactosyl hydroxy lysine

Structural Information

Molecular Formula
C12H24N2O8
SMILES
C(CCN)C[C@@H](C(=O)O)N(C1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O
InChI
InChI=1S/C12H24N2O8/c13-4-2-1-3-6(12(19)20)14(21)11-10(18)9(17)8(16)7(5-15)22-11/h6-11,15-18,21H,1-5,13H2,(H,19,20)/t6-,7+,8-,9-,10+,11?/m0/s1
InChIKey
RCPOVANIIKXVTB-YPPRVYOWSA-N
Compound name
(2S)-6-amino-2-[hydroxy-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

575
Patents

324.15326 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.16054 173.3
[M+Na]+ 347.14248 175.1
[M+NH4]+ 342.18708 174.2
[M+K]+ 363.11642 177.4
[M-H]- 323.14598 170.0
[M+Na-2H]- 345.12793 168.2
[M]+ 324.15271 171.4
[M]- 324.15381 171.4
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