CID 100145

Ra 263

Structural Information

Molecular Formula
C9H11N3O5
SMILES
C1=CC(OC(C1O)CO)N2C=CN=C2[N+](=O)[O-]
InChI
InChI=1S/C9H11N3O5/c13-5-7-6(14)1-2-8(17-7)11-4-3-10-9(11)12(15)16/h1-4,6-8,13-14H,5H2
InChIKey
CJRBQXDMCWCHBW-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-(2-nitroimidazol-1-yl)-3,6-dihydro-2H-pyran-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

241.06987 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.07715 148.4
[M+Na]+ 264.05909 154.8
[M-H]- 240.06259 151.0
[M+NH4]+ 259.10369 161.3
[M+K]+ 280.03303 149.4
[M+H-H2O]+ 224.06713 145.4
[M+HCOO]- 286.06807 167.4
[M+CH3COO]- 300.08372 179.0
[M+Na-2H]- 262.04454 154.6
[M]+ 241.06932 145.5
[M]- 241.07042 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

literature stripe

Patent stripe

No patent data available for this compound.