CID 100692

2-nitro-1-alpha-d-ribofuranosyl-1h-imidazole

Structural Information

Molecular Formula
C8H11N3O6
SMILES
C1=CN(C(=N1)[N+](=O)[O-])[C@@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C8H11N3O6/c12-3-4-5(13)6(14)7(17-4)10-2-1-9-8(10)11(15)16/h1-2,4-7,12-14H,3H2/t4-,5-,6-,7+/m1/s1
InChIKey
GEPYEWPQCQPUJN-GBNDHIKLSA-N
Compound name
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.06479 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.07207 148.2
[M+Na]+ 268.05401 154.8
[M-H]- 244.05751 150.2
[M+NH4]+ 263.09861 162.2
[M+K]+ 284.02795 149.8
[M+H-H2O]+ 228.06205 146.5
[M+HCOO]- 290.06299 166.9
[M+CH3COO]- 304.07864 177.3
[M+Na-2H]- 266.03946 152.1
[M]+ 245.06424 145.5
[M]- 245.06534 145.5
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

No patent data available for this compound.