CID 44176391

3,7-dideoxy-d-threo-hepto-2,6-diuolosonic acid

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
2
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]+ 191.05502 137.8
[M+Na]+ 213.03696 142.8
[M-H]- 189.04046 133.8
[M+NH4]+ 208.08156 154.5
[M+K]+ 229.01090 143.2
[M+H-H2O]+ 173.04500 133.3
[M+HCOO]- 235.04594 153.7
[M+CH3COO]- 249.06159 176.9
[M+Na-2H]- 211.02241 136.6
[M]+ 190.04719 137.0
[M]- 190.04829 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.