CID 100692

67773-77-7

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
2
Annotation Hits

5
References

7
Patents

245.06479 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.072066 148.2
[M+Na]+ 268.054008 154.8
[M-H]- 244.057514 150.2
[M+NH4]+ 263.098613 162.2
[M+K]+ 284.027948 149.8
[M+H-H2O]+ 228.062050 146.5
[M+HCOO]- 290.062991 166.9
[M+CH3COO]- 304.078641 177.3
[M+Na-2H]- 266.039456 152.1
[M]+ 245.06424142 145.5
[M]- 245.06533858 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.