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: 57
Patents: 194.04265 Da
Monoisotopic Mass: -2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	195.049926	135.2
[M+Na]+	217.031868	142.6
[M-H]-	193.035374	133.3
[M+NH4]+	212.076473	153.6
[M+K]+	233.005808	142.2
[M+H-H2O]+	177.039910	132.5
[M+HCOO]-	239.040851	150.4
[M+CH3COO]-	253.056501	169.4
[M+Na-2H]-	215.017316	138.2
[M]+	194.04210142	133.6
[M]-	194.04319858	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe