CID 440352

5-dehydro-4-deoxy-d-glucuronate

Structural Information

Molecular Formula
C6H8O6
SMILES
C([C@@H]([C@@H](C=O)O)O)C(=O)C(=O)O
InChI
InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)/t3-,5+/m0/s1
InChIKey
IMUGYKFHMJLTOU-WVZVXSGGSA-N
Compound name
(4S,5S)-4,5-dihydroxy-2,6-dioxohexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

83
Patents

176.03209 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.03937 135.3
[M+Na]+ 199.02131 141.1
[M+NH4]+ 194.06591 138.7
[M+K]+ 214.99525 141.3
[M-H]- 175.02481 129.5
[M+Na-2H]- 197.00676 133.9
[M]+ 176.03154 133.6
[M]- 176.03264 133.6
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

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