CID 131751634

E-fructoselysine

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₇

SMILES

C(CCNCC1(C(C(C(O1)CO)O)O)O)CC(C(=O)O)N

InChI

InChI=1S/C12H24N2O7/c13-7(11(18)19)3-1-2-4-14-6-12(20)10(17)9(16)8(5-15)21-12/h7-10,14-17,20H,1-6,13H2,(H,18,19)

InChIKey

ZAWLGBRDVQURAK-UHFFFAOYSA-N

Compound name

2-amino-6-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methylamino]hexanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 4
Patents: 308.15836 Da
Monoisotopic Mass: -4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	309.165636	168.5
[M+Na]+	331.147578	170.9
[M-H]-	307.151084	164.9
[M+NH4]+	326.192183	181.1
[M+K]+	347.121518	170.0
[M+H-H2O]+	291.155620	163.6
[M+HCOO]-	353.156561	182.0
[M+CH3COO]-	367.172211	199.4
[M+Na-2H]-	329.133026	167.2
[M]+	308.15781142	165.7
[M]-	308.15890858	165.7

Literature stripe

literature stripe

Patent stripe

patents stripe