CID 44176391

3,7-dideoxy-d-threo-hepto-2,6-diuolosonate

Structural Information

Molecular Formula
C7H10O6
SMILES
CC(=O)[C@H]([C@@H](CC(=O)C(=O)O)O)O
InChI
InChI=1S/C7H10O6/c1-3(8)6(11)4(9)2-5(10)7(12)13/h4,6,9,11H,2H2,1H3,(H,12,13)/t4-,6-/m1/s1
InChIKey
JBJFMONKIKZMPK-INEUFUBQSA-N
Compound name
(4R,5S)-4,5-dihydroxy-2,6-dioxoheptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.04774 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.055016 137.8
[M+Na]+ 213.036958 142.8
[M-H]- 189.040464 133.8
[M+NH4]+ 208.081563 154.5
[M+K]+ 229.010898 143.2
[M+H-H2O]+ 173.045000 133.3
[M+HCOO]- 235.045941 153.7
[M+CH3COO]- 249.061591 176.9
[M+Na-2H]- 211.022406 136.6
[M]+ 190.04719142 137.0
[M]- 190.04828858 137.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.