CID 5297195

8-nitroquinolin-5-amine

Structural Information

Molecular Formula
C9H7N3O2
SMILES
C1=CC2=C(C=CC(=C2N=C1)[N+](=O)[O-])N
InChI
InChI=1S/C9H7N3O2/c10-7-3-4-8(12(13)14)9-6(7)2-1-5-11-9/h1-5H,10H2
InChIKey
HUJXJGQTEDKYER-UHFFFAOYSA-N
Compound name
8-nitroquinolin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

189.05383 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06111 134.2
[M+Na]+ 212.04305 148.7
[M+NH4]+ 207.08765 143.1
[M+K]+ 228.01699 144.9
[M-H]- 188.04655 138.6
[M+Na-2H]- 210.02850 141.8
[M]+ 189.05328 137.4
[M]- 189.05438 137.4
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