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]+ 171.076416 134.0
[M+Na]+ 193.058358 142.9
[M-H]- 169.061864 132.4
[M+NH4]+ 188.102963 153.0
[M+K]+ 209.032298 140.0
[M+H-H2O]+ 153.066400 128.4
[M+HCOO]- 215.067341 150.4
[M+CH3COO]- 229.082991 170.9
[M+Na-2H]- 191.043806 138.4
[M]+ 170.06859142 130.9
[M]- 170.06968858 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

patents stripe