CID 57339274

(s)-malyl alpha-d-glucosaminide(1-)

Structural Information

Molecular Formula
C10H17NO9
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H](CC(=O)O)C(=O)O)N)O)O)O
InChI
InChI=1S/C10H17NO9/c11-6-8(16)7(15)4(2-12)20-10(6)19-3(9(17)18)1-5(13)14/h3-4,6-8,10,12,15-16H,1-2,11H2,(H,13,14)(H,17,18)/t3-,4+,6+,7+,8+,10-/m0/s1
InChIKey
DFSUVSNIIHLGAX-NKQVSKEESA-N
Compound name
(2S)-2-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

295.09033 Da
Monoisotopic Mass

-5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.09761 162.5
[M+Na]+ 318.07955 165.5
[M+NH4]+ 313.12415 163.4
[M+K]+ 334.05349 168.4
[M-H]- 294.08305 158.2
[M+Na-2H]- 316.06500 157.7
[M]+ 295.08978 160.6
[M]- 295.09088 160.6
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

patents stripe