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
4
Annotation Hits

1641
References

7794
Patents

179.07938 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08666 136.3
[M+Na]+ 202.06860 142.7
[M-H]- 178.07210 134.9
[M+NH4]+ 197.11320 153.9
[M+K]+ 218.04254 142.0
[M+H-H2O]+ 162.07664 132.4
[M+HCOO]- 224.07758 151.7
[M+CH3COO]- 238.09323 172.1
[M+Na-2H]- 200.05405 140.7
[M]+ 179.07883 131.1
[M]- 179.07993 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