CID 9965052

Glucosamine-1p

Structural Information

Molecular Formula
C6H14NO8P
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OP(=O)(O)O)N)O)O)O
InChI
InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1
InChIKey
YMJBYRVFGYXULK-UKFBFLRUSA-N
Compound name
[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

22
References

619
Patents

259.04572 Da
Monoisotopic Mass

-6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05300 152.6
[M+Na]+ 282.03494 156.8
[M+NH4]+ 277.07954 154.7
[M+K]+ 298.00888 158.9
[M-H]- 258.03844 148.9
[M+Na-2H]- 280.02039 149.3
[M]+ 259.04517 151.2
[M]- 259.04627 151.2
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