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
2
Annotation Hits

10
References

77
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 169.3
[M+Na]+ 343.11120 170.1
[M-H]- 319.11470 159.2
[M+NH4]+ 338.15580 174.3
[M+K]+ 359.08514 169.5
[M+H-H2O]+ 303.11924 162.3
[M+HCOO]- 365.12018 174.0
[M+CH3COO]- 379.13583 192.6
[M+Na-2H]- 341.09665 164.7
[M]+ 320.12143 164.7
[M]- 320.12253 164.7
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