CID 25058196

5-deoxy-d-glucuronate

Structural Information

Molecular Formula
C6H10O6
SMILES
C([C@H]([C@@H]([C@H](C=O)O)O)O)C(=O)O
InChI
InChI=1S/C6H10O6/c7-2-4(9)6(12)3(8)1-5(10)11/h2-4,6,8-9,12H,1H2,(H,10,11)/t3-,4+,6+/m1/s1
InChIKey
HPITTXOWHLWIEK-IWGUZYHVSA-N
Compound name
(3R,4S,5R)-3,4,5-trihydroxy-6-oxohexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

178.04774 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.05502 135.9
[M+Na]+ 201.03696 140.8
[M-H]- 177.04046 130.6
[M+NH4]+ 196.08156 152.5
[M+K]+ 217.01090 140.7
[M+H-H2O]+ 161.04500 131.4
[M+HCOO]- 223.04594 151.4
[M+CH3COO]- 237.06159 171.4
[M+Na-2H]- 199.02241 135.8
[M]+ 178.04719 134.2
[M]- 178.04829 134.2
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