CID 9429849

8-ethoxy-5-nitroquinoline

Structural Information

Molecular Formula
C11H10N2O3
SMILES
CCOC1=C2C(=C(C=C1)[N+](=O)[O-])C=CC=N2
InChI
InChI=1S/C11H10N2O3/c1-2-16-10-6-5-9(13(14)15)8-4-3-7-12-11(8)10/h3-7H,2H2,1H3
InChIKey
JIKDSYNTJROGHD-UHFFFAOYSA-N
Compound name
8-ethoxy-5-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

218.06914 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.076416 143.8
[M+Na]+ 241.058358 152.0
[M-H]- 217.061864 147.4
[M+NH4]+ 236.102963 161.3
[M+K]+ 257.032298 145.6
[M+H-H2O]+ 201.066400 141.2
[M+HCOO]- 263.067341 167.6
[M+CH3COO]- 277.082991 183.2
[M+Na-2H]- 239.043806 154.0
[M]+ 218.06859142 144.7
[M]- 218.06968858 144.7
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

No patent data available for this compound.