CID 109389

Monosodium n-(1-deoxy-d-fructos-1-yl)-l-aspartate

Structural Information

Molecular Formula
C10H17NO9
SMILES
C(C1C(C(C(O1)(CNC(CC(=O)O)C(=O)O)O)O)O)O
InChI
InChI=1S/C10H17NO9/c12-2-5-7(15)8(16)10(19,20-5)3-11-4(9(17)18)1-6(13)14/h4-5,7-8,11-12,15-16,19H,1-3H2,(H,13,14)(H,17,18)
InChIKey
LXLZPMVLUWGWQJ-UHFFFAOYSA-N
Compound name
2-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methylamino]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.09033 Da
Monoisotopic Mass

-5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.09761 162.1
[M+Na]+ 318.07955 163.5
[M+NH4]+ 313.12415 164.0
[M+K]+ 334.05349 166.7
[M-H]- 294.08305 156.6
[M+Na-2H]- 316.06500 158.4
[M]+ 295.08978 159.7
[M]- 295.09088 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.