CID 19910

Nitroxoline

Structural Information

Molecular Formula
C9H6N2O3
SMILES
C1=CC2=C(C=CC(=C2N=C1)O)[N+](=O)[O-]
InChI
InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H
InChIKey
RJIWZDNTCBHXAL-UHFFFAOYSA-N
Compound name
5-nitroquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

167
References

3973
Patents

190.03784 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04512 133.8
[M+Na]+ 213.02706 142.5
[M-H]- 189.03056 136.4
[M+NH4]+ 208.07166 151.8
[M+K]+ 229.00100 135.6
[M+H-H2O]+ 173.03510 131.9
[M+HCOO]- 235.03604 156.9
[M+CH3COO]- 249.05169 174.3
[M+Na-2H]- 211.01251 144.8
[M]+ 190.03729 132.2
[M]- 190.03839 132.2
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