CID 3081444

1,5-anhydro-d-glucitol-6-phosphate

Structural Information

Molecular Formula
C6H13O8P
SMILES
C1[C@@H]([C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)O
InChI
InChI=1S/C6H13O8P/c7-3-1-13-4(6(9)5(3)8)2-14-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5+,6+/m0/s1
InChIKey
KAJAXXUCVJFKFM-SLPGGIOYSA-N
Compound name
[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

69
Patents

244.0348 Da
Monoisotopic Mass

-3.7
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

patents stripe