CID 5270717

(2s,3r,4r,5r,6r)-2-[(3r)-3-amino-4-hydroxy-butyl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

Structural Information

Molecular Formula
C10H21NO6
SMILES
C(C[C@H](CO)N)[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C10H21NO6/c11-5(3-12)1-2-6-8(14)10(16)9(15)7(4-13)17-6/h5-10,12-16H,1-4,11H2/t5-,6+,7-,8+,9+,10-/m1/s1
InChIKey
ZDUKGWXKEAISCX-VJILJNLWSA-N
Compound name
(2S,3R,4R,5R,6R)-2-[(3R)-3-amino-4-hydroxybutyl]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.13689 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.14417 158.1
[M+Na]+ 274.12611 161.9
[M-H]- 250.12961 154.7
[M+NH4]+ 269.17071 170.1
[M+K]+ 290.10005 160.5
[M+H-H2O]+ 234.13415 152.4
[M+HCOO]- 296.13509 169.9
[M+CH3COO]- 310.15074 187.4
[M+Na-2H]- 272.11156 156.7
[M]+ 251.13634 153.3
[M]- 251.13744 153.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.