CID 129417

2-carboxy-d-arabinitol 1-phosphate

Structural Information

Molecular Formula
C6H13O10P
SMILES
C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)O
InChI
InChI=1S/C6H13O10P/c7-1-3(8)4(9)6(12,5(10)11)2-16-17(13,14)15/h3-4,7-9,12H,1-2H2,(H,10,11)(H2,13,14,15)/t3-,4-,6-/m1/s1
InChIKey
UJTMIRNFEXKGMS-ZMIZWQJLSA-N
Compound name
(2R,3R,4R)-2,3,4,5-tetrahydroxy-2-(phosphonooxymethyl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

53
Patents

276.02463 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.03191 155.5
[M+Na]+ 299.01385 158.2
[M-H]- 275.01735 144.7
[M+NH4]+ 294.05845 149.5
[M+K]+ 314.98779 159.0
[M+H-H2O]+ 259.02189 149.1
[M+HCOO]- 321.02283 159.0
[M+CH3COO]- 335.03848 181.4
[M+Na-2H]- 296.99930 155.4
[M]+ 276.02408 154.7
[M]- 276.02518 154.7
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