CID 92136116

N-glycoloyl-d-glucosamine 6-phosphate

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]+ 318.05846 163.9
[M+Na]+ 340.04040 167.1
[M-H]- 316.04390 158.6
[M+NH4]+ 335.08500 172.7
[M+K]+ 356.01434 168.2
[M+H-H2O]+ 300.04844 156.0
[M+HCOO]- 362.04938 179.9
[M+CH3COO]- 376.06503 195.5
[M+Na-2H]- 338.02585 163.4
[M]+ 317.05063 162.4
[M]- 317.05173 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.