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

25
Patents

160.06366 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 129.0
[M+Na]+ 183.05288 138.1
[M-H]- 159.05638 131.0
[M+NH4]+ 178.09748 148.3
[M+K]+ 199.02682 129.9
[M+H-H2O]+ 143.06092 127.5
[M+HCOO]- 205.06186 151.9
[M+CH3COO]- 219.07751 169.7
[M+Na-2H]- 181.03833 139.9
[M]+ 160.06311 125.1
[M]- 160.06421 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