CID 14312

1127-45-3

Structural Information

Molecular Formula
C9H7NO2
SMILES
C1=CC2=C(C(=C1)O)[N+](=CC=C2)[O-]
InChI
InChI=1S/C9H7NO2/c11-8-5-1-3-7-4-2-6-10(12)9(7)8/h1-6,11H
InChIKey
FJKUOCCQEBLPNX-UHFFFAOYSA-N
Compound name
1-oxidoquinolin-1-ium-8-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

938
Patents

161.04768 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.054956 129.0
[M+Na]+ 184.036898 138.5
[M-H]- 160.040404 130.4
[M+NH4]+ 179.081503 148.2
[M+K]+ 200.010838 130.4
[M+H-H2O]+ 144.044940 128.0
[M+HCOO]- 206.045881 150.3
[M+CH3COO]- 220.061531 165.2
[M+Na-2H]- 182.022346 140.1
[M]+ 161.04713142 126.4
[M]- 161.04822858 126.4
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