CID 439343

D-fructofuranuronic acid

Structural Information

Molecular Formula
C6H10O7
SMILES
C(C1([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)O
InChI
InChI=1S/C6H10O7/c7-1-6(12)4(9)2(8)3(13-6)5(10)11/h2-4,7-9,12H,1H2,(H,10,11)/t2-,3+,4+,6?/m1/s1
InChIKey
PTCIWUZVDIQTOW-XDJBDKDSSA-N
Compound name
(2S,3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

74
Patents

194.04265 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04993 135.2
[M+Na]+ 217.03187 142.6
[M-H]- 193.03537 133.3
[M+NH4]+ 212.07647 153.6
[M+K]+ 233.00581 142.2
[M+H-H2O]+ 177.03991 132.5
[M+HCOO]- 239.04085 150.4
[M+CH3COO]- 253.05650 169.4
[M+Na-2H]- 215.01732 138.2
[M]+ 194.04210 133.6
[M]- 194.04320 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

No literature data available for this compound.

Patent stripe

patents stripe