CID 440992

2-deoxy-6-o-phospho-d-glucopyranose

Structural Information

Molecular Formula
C6H13O8P
SMILES
C1[C@H]([C@@H]([C@H](OC1O)COP(=O)(O)O)O)O
InChI
InChI=1S/C6H13O8P/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5?,6+/m1/s1
InChIKey
UQJFZAAGZAYVKZ-CERMHHMHSA-N
Compound name
[(2R,3S,4R)-3,4,6-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

0
Patents

244.0348 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.04208 149.6
[M+Na]+ 267.02402 154.8
[M-H]- 243.02752 145.8
[M+NH4]+ 262.06862 162.6
[M+K]+ 282.99796 155.2
[M+H-H2O]+ 227.03206 142.6
[M+HCOO]- 289.03300 167.4
[M+CH3COO]- 303.04865 179.4
[M+Na-2H]- 265.00947 151.1
[M]+ 244.03425 148.3
[M]- 244.03535 148.3
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.