CID 448372

2-deoxy-d-glucitol 6-(e)-vinylhomophosphonate

Structural Information

Molecular Formula
C7H15O7P
SMILES
C(CO)[C@H]([C@@H]([C@@H](/C=C/P(=O)(O)O)O)O)O
InChI
InChI=1S/C7H15O7P/c8-3-1-5(9)7(11)6(10)2-4-15(12,13)14/h2,4-11H,1,3H2,(H2,12,13,14)/b4-2+/t5-,6-,7+/m1/s1
InChIKey
CZQSGBWQBMZTMQ-AEVYZNAZSA-N
Compound name
[(E,3R,4S,5R)-3,4,5,7-tetrahydroxyhept-1-enyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

242.05554 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.062816 156.2
[M+Na]+ 265.044758 159.6
[M-H]- 241.048264 146.6
[M+NH4]+ 260.089363 169.4
[M+K]+ 281.018698 158.1
[M+H-H2O]+ 225.052800 149.7
[M+HCOO]- 287.053741 172.9
[M+CH3COO]- 301.069391 177.8
[M+Na-2H]- 263.030206 153.5
[M]+ 242.05499142 153.9
[M]- 242.05608858 153.9
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