CID 210950

1-methyl-6-nitroquinolinium iodide

Structural Information

Molecular Formula
C10H9N2O2
SMILES
C[N+]1=CC=CC2=C1C=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H9N2O2/c1-11-6-2-3-8-7-9(12(13)14)4-5-10(8)11/h2-7H,1H3/q+1
InChIKey
LLYZFBHYXVCCEV-UHFFFAOYSA-N
Compound name
1-methyl-6-nitroquinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

189.0664 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.07368 138.7
[M+Na]+ 212.05562 147.2
[M-H]- 188.05912 142.7
[M+NH4]+ 207.10022 156.9
[M+K]+ 228.02956 135.1
[M+H-H2O]+ 172.06366 139.2
[M+HCOO]- 234.06460 161.9
[M+CH3COO]- 248.08025 172.4
[M+Na-2H]- 210.04107 151.2
[M]+ 189.06585 136.6
[M]- 189.06695 136.6
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

patents stripe