CID 11956719

D-fructosazine

Structural Information

Molecular Formula
C12H20N2O8
SMILES
C1=C(N=CC(=N1)C(C(C(CO)O)O)O)C(C(C(CO)O)O)O
InChI
InChI=1S/C12H20N2O8/c15-3-7(17)11(21)9(19)5-1-13-6(2-14-5)10(20)12(22)8(18)4-16/h1-2,7-12,15-22H,3-4H2
InChIKey
NPWQIVOYGNUVEB-UHFFFAOYSA-N
Compound name
1-[5-(1,2,3,4-tetrahydroxybutyl)pyrazin-2-yl]butane-1,2,3,4-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

320.12198 Da
Monoisotopic Mass

-5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12926 170.3
[M+Na]+ 343.11120 173.1
[M+NH4]+ 338.15580 170.0
[M+K]+ 359.08514 177.2
[M-H]- 319.11470 162.4
[M+Na-2H]- 341.09665 166.6
[M]+ 320.12143 167.3
[M]- 320.12253 167.3
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

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