CID 20484

Fructosamine

Structural Information

Molecular Formula
C6H13NO5
SMILES
C1[C@H]([C@H]([C@@H]([C@](O1)(CN)O)O)O)O
InChI
InChI=1S/C6H13NO5/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,8-11H,1-2,7H2/t3-,4-,5+,6-/m1/s1
InChIKey
IXZISFNWUWKBOM-ARQDHWQXSA-N
Compound name
(2R,3S,4R,5R)-2-(aminomethyl)oxane-2,3,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1644
References

5827
Patents

179.07938 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.086656 136.3
[M+Na]+ 202.068598 142.7
[M-H]- 178.072104 134.9
[M+NH4]+ 197.113203 153.9
[M+K]+ 218.042538 142.0
[M+H-H2O]+ 162.076640 132.4
[M+HCOO]- 224.077581 151.7
[M+CH3COO]- 238.093231 172.1
[M+Na-2H]- 200.054046 140.7
[M]+ 179.07883142 131.1
[M]- 179.07992858 131.1
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