CID 439452

6-phosphonoglucono-d-lactone

Structural Information

Molecular Formula
C6H11O9P
SMILES
C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C6H11O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-5,7-9H,1H2,(H2,11,12,13)/t2-,3-,4+,5-/m1/s1
InChIKey
IJOJIVNDFQSGAB-SQOUGZDYSA-N
Compound name
[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-oxooxan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

33
References

1568
Patents

258.01407 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.021346 149.1
[M+Na]+ 281.003288 155.3
[M-H]- 257.006794 145.7
[M+NH4]+ 276.047893 161.7
[M+K]+ 296.977228 155.8
[M+H-H2O]+ 241.011330 142.2
[M+HCOO]- 303.012271 167.3
[M+CH3COO]- 317.027921 182.6
[M+Na-2H]- 278.988736 150.5
[M]+ 258.01352142 149.0
[M]- 258.01461858 149.0
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