CID 118901

5-amino-6-nitroquinoline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

189.05383 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06111 133.9
[M+Na]+ 212.04305 142.2
[M-H]- 188.04655 137.3
[M+NH4]+ 207.08765 152.0
[M+K]+ 228.01699 135.3
[M+H-H2O]+ 172.05109 131.6
[M+HCOO]- 234.05203 158.6
[M+CH3COO]- 248.06768 179.0
[M+Na-2H]- 210.02850 144.7
[M]+ 189.05328 131.1
[M]- 189.05438 131.1
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