CID 6822

6-methoxy-8-nitroquinoline

Structural Information

Molecular Formula
C10H8N2O3
SMILES
COC1=CC(=C2C(=C1)C=CC=N2)[N+](=O)[O-]
InChI
InChI=1S/C10H8N2O3/c1-15-8-5-7-3-2-4-11-10(7)9(6-8)12(13)14/h2-6H,1H3
InChIKey
MIMUSZHMZBJBPO-UHFFFAOYSA-N
Compound name
6-methoxy-8-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13030
Patents

204.0535 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06078 138.9
[M+Na]+ 227.04272 147.6
[M-H]- 203.04622 142.7
[M+NH4]+ 222.08732 157.0
[M+K]+ 243.01666 141.4
[M+H-H2O]+ 187.05076 136.5
[M+HCOO]- 249.05170 163.1
[M+CH3COO]- 263.06735 180.2
[M+Na-2H]- 225.02817 149.7
[M]+ 204.05295 139.5
[M]- 204.05405 139.5
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

patents stripe