CID 126517

1,5-anhydro-d-fructose

Structural Information

Molecular Formula
C6H10O5
SMILES
C1C(=O)[C@H]([C@@H]([C@H](O1)CO)O)O
InChI
InChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h4-7,9-10H,1-2H2/t4-,5-,6-/m1/s1
InChIKey
OCLOLUFOLJIQDC-HSUXUTPPSA-N
Compound name
(4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

43
References

557
Patents

162.05283 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06011 130.0
[M+Na]+ 185.04205 137.2
[M-H]- 161.04555 130.5
[M+NH4]+ 180.08665 147.7
[M+K]+ 201.01599 136.9
[M+H-H2O]+ 145.05009 125.5
[M+HCOO]- 207.05103 147.0
[M+CH3COO]- 221.06668 169.0
[M+Na-2H]- 183.02750 134.5
[M]+ 162.05228 127.4
[M]- 162.05338 127.4
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