CID 71587802

N-gluconyl ethanolamine phosphate

Structural Information

Molecular Formula
C8H18NO10P
SMILES
C(COP(=O)(O)O)NC(=O)[C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O
InChI
InChI=1S/C8H18NO10P/c10-3-4(11)5(12)6(13)7(14)8(15)9-1-2-19-20(16,17)18/h4-7,10-14H,1-3H2,(H,9,15)(H2,16,17,18)/t4-,5+,6+,7-/m1/s1
InChIKey
JNXDTQSHHDGYGF-JRTVQGFMSA-N
Compound name
2-[[(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

78
Patents

319.06683 Da
Monoisotopic Mass

-5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.07411 167.0
[M+Na]+ 342.05605 173.8
[M-H]- 318.05955 175.7
[M+NH4]+ 337.10065 169.2
[M+K]+ 358.02999 168.7
[M+H-H2O]+ 302.06409 159.1
[M+HCOO]- 364.06503 169.8
[M+CH3COO]- 378.08068 194.0
[M+Na-2H]- 340.04150 162.5
[M]+ 319.06628 163.7
[M]- 319.06738 163.7
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

patents stripe