CID 594833

8-aminoquinoline n-oxide

Structural Information

Molecular Formula
C9H8N2O
SMILES
C1=CC2=C(C(=C1)N)[N+](=CC=C2)[O-]
InChI
InChI=1S/C9H8N2O/c10-8-5-1-3-7-4-2-6-11(12)9(7)8/h1-6H,10H2
InChIKey
VAPLDXAYDSGTPC-UHFFFAOYSA-N
Compound name
1-oxidoquinolin-1-ium-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

160.06366 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.070936 129.0
[M+Na]+ 183.052878 138.1
[M-H]- 159.056384 131.0
[M+NH4]+ 178.097483 148.3
[M+K]+ 199.026818 129.9
[M+H-H2O]+ 143.060920 127.5
[M+HCOO]- 205.061861 151.9
[M+CH3COO]- 219.077511 169.7
[M+Na-2H]- 181.038326 139.9
[M]+ 160.06311142 125.1
[M]- 160.06420858 125.1
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

patents stripe