CID 3034146

Threo-2,5-hexodiulose, 1,6-dideoxy-

Structural Information

Molecular Formula
C6H10O4
SMILES
CC(=O)[C@@H]([C@H](C(=O)C)O)O
InChI
InChI=1S/C6H10O4/c1-3(7)5(9)6(10)4(2)8/h5-6,9-10H,1-2H3/t5-,6-/m0/s1
InChIKey
RQDWELNLPMBYMA-WDSKDSINSA-N
Compound name
(3R,4R)-3,4-dihydroxyhexane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

146.0579 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.065176 129.3
[M+Na]+ 169.047118 135.3
[M-H]- 145.050624 127.0
[M+NH4]+ 164.091723 148.9
[M+K]+ 185.021058 135.8
[M+H-H2O]+ 129.055160 125.2
[M+HCOO]- 191.056101 147.5
[M+CH3COO]- 205.071751 171.7
[M+Na-2H]- 167.032566 130.3
[M]+ 146.05735142 128.6
[M]- 146.05844858 128.6
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

patents stripe