CID 92136116

Refchem:972261

Structural Information

Molecular Formula
C8H16NO10P
SMILES
C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)NC(=O)CO)O)O)OP(=O)(O)O
InChI
InChI=1S/C8H16NO10P/c10-1-4(11)9-5-7(13)6(12)3(19-8(5)14)2-18-20(15,16)17/h3,5-8,10,12-14H,1-2H2,(H,9,11)(H2,15,16,17)/t3-,5-,6-,7-,8?/m1/s1
InChIKey
VKPOEZPMXKUZBS-ZQLGFOCFSA-N
Compound name
[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-[(2-hydroxyacetyl)amino]oxan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

317.05118 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.058456 163.9
[M+Na]+ 340.040398 167.1
[M-H]- 316.043904 158.6
[M+NH4]+ 335.085003 172.7
[M+K]+ 356.014338 168.2
[M+H-H2O]+ 300.048440 156.0
[M+HCOO]- 362.049381 179.9
[M+CH3COO]- 376.065031 195.5
[M+Na-2H]- 338.025846 163.4
[M]+ 317.05063142 162.4
[M]- 317.05172858 162.4
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

No patent data available for this compound.