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

267
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

literature stripe

Patent stripe

patents stripe