CID 6602429

Fuconic acid

Structural Information

Molecular Formula
C6H12O6
SMILES
C[C@@H]([C@@H]([C@H]([C@H](C(=O)O)O)O)O)O
InChI
InChI=1S/C6H12O6/c1-2(7)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3-,4+,5+/m0/s1
InChIKey
NBFWIISVIFCMDK-QMKXCQHVSA-N
Compound name
(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

285
Patents

180.06339 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.07067 138.1
[M+Na]+ 203.05261 142.0
[M-H]- 179.05611 131.4
[M+NH4]+ 198.09721 153.9
[M+K]+ 219.02655 142.3
[M+H-H2O]+ 163.06065 133.8
[M+HCOO]- 225.06159 150.9
[M+CH3COO]- 239.07724 171.1
[M+Na-2H]- 201.03806 136.1
[M]+ 180.06284 134.5
[M]- 180.06394 134.5
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

No patent data available for this compound.