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]+ 219.07642 143.8
[M+Na]+ 241.05836 152.0
[M-H]- 217.06186 147.4
[M+NH4]+ 236.10296 161.3
[M+K]+ 257.03230 145.6
[M+H-H2O]+ 201.06640 141.2
[M+HCOO]- 263.06734 167.6
[M+CH3COO]- 277.08299 183.2
[M+Na-2H]- 239.04381 154.0
[M]+ 218.06859 144.7
[M]- 218.06969 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.