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

6
Patents

308.15836 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.16564 168.5
[M+Na]+ 331.14758 170.9
[M-H]- 307.15108 164.9
[M+NH4]+ 326.19218 181.1
[M+K]+ 347.12152 170.0
[M+H-H2O]+ 291.15562 163.6
[M+HCOO]- 353.15656 182.0
[M+CH3COO]- 367.17221 199.4
[M+Na-2H]- 329.13303 167.2
[M]+ 308.15781 165.7
[M]- 308.15891 165.7
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