CID 445615

Xylose-derived imidazole

Structural Information

Molecular Formula
C7H10N2O3
SMILES
C1[C@H]([C@@H]([C@H](C2=NC=CN21)O)O)O
InChI
InChI=1S/C7H10N2O3/c10-4-3-9-2-1-8-7(9)6(12)5(4)11/h1-2,4-6,10-12H,3H2/t4-,5+,6-/m1/s1
InChIKey
QMHSBFMMOLGPGR-NGJCXOISSA-N
Compound name
(6R,7S,8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

170.06914 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.07642 134.0
[M+Na]+ 193.05836 142.9
[M-H]- 169.06186 132.4
[M+NH4]+ 188.10296 153.0
[M+K]+ 209.03230 140.0
[M+H-H2O]+ 153.06640 128.4
[M+HCOO]- 215.06734 150.4
[M+CH3COO]- 229.08299 170.9
[M+Na-2H]- 191.04381 138.4
[M]+ 170.06859 130.9
[M]- 170.06969 130.9
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

No patent data available for this compound.