CID 25203658

3-amino-3-deoxyfructose 6-phosphate

Structural Information

Molecular Formula
C6H14NO8P
SMILES
C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)N)O)OP(=O)(O)O
InChI
InChI=1S/C6H14NO8P/c7-5-4(9)3(1-14-16(11,12)13)15-6(5,10)2-8/h3-5,8-10H,1-2,7H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1
InChIKey
KYORZMSTOXVELJ-ARQDHWQXSA-N
Compound name
[(2R,3S,4S,5S)-4-amino-3,5-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

259.04572 Da
Monoisotopic Mass

-6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.052996 150.8
[M+Na]+ 282.034938 156.5
[M-H]- 258.038444 146.9
[M+NH4]+ 277.079543 166.3
[M+K]+ 298.008878 156.7
[M+H-H2O]+ 242.042980 145.4
[M+HCOO]- 304.043921 170.8
[M+CH3COO]- 318.059571 183.6
[M+Na-2H]- 280.020386 153.0
[M]+ 259.04517142 149.9
[M]- 259.04626858 149.9
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.