CID 129670963

Chebi:145420

Structural Information

Molecular Formula
C6H11O8P
SMILES
C1[C@H]([C@@H]([C@H](OC1=O)COP(=O)(O)O)O)O
InChI
InChI=1S/C6H11O8P/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-4,6-7,9H,1-2H2,(H2,10,11,12)/t3-,4-,6+/m1/s1
InChIKey
QNVCCLZIWINYSH-KODRXGBYSA-N
Compound name
[(2R,3S,4R)-3,4-dihydroxy-6-oxooxan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.01915 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.02643 147.0
[M+Na]+ 265.00837 153.0
[M+NH4]+ 260.05297 149.9
[M+K]+ 280.98231 153.9
[M-H]- 241.01187 143.5
[M+Na-2H]- 262.99382 145.3
[M]+ 242.01860 146.0
[M]- 242.01970 146.0
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

No patent data available for this compound.