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 160.1
[M+Na]+ 318.07955 163.4
[M-H]- 294.08305 156.0
[M+NH4]+ 313.12415 172.7
[M+K]+ 334.05349 163.7
[M+H-H2O]+ 278.08759 156.2
[M+HCOO]- 340.08853 171.9
[M+CH3COO]- 354.10418 191.5
[M+Na-2H]- 316.06500 159.2
[M]+ 295.08978 158.2
[M]- 295.09088 158.2
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.