CID 811350

8-methoxy-5-nitroquinoline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

204.0535 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.060776 138.9
[M+Na]+ 227.042718 147.6
[M-H]- 203.046224 142.7
[M+NH4]+ 222.087323 157.0
[M+K]+ 243.016658 141.4
[M+H-H2O]+ 187.050760 136.5
[M+HCOO]- 249.051701 163.1
[M+CH3COO]- 263.067351 180.2
[M+Na-2H]- 225.028166 149.7
[M]+ 204.05295142 139.5
[M]- 204.05404858 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