CID 253821

6-methoxyquinoline n-oxide

Structural Information

Molecular Formula
C10H9NO2
SMILES
COC1=CC2=C(C=C1)[N+](=CC=C2)[O-]
InChI
InChI=1S/C10H9NO2/c1-13-9-4-5-10-8(7-9)3-2-6-11(10)12/h2-7H,1H3
InChIKey
BWEGRKPOJXNZSK-UHFFFAOYSA-N
Compound name
6-methoxy-1-oxidoquinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

141
Patents

175.06332 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 134.0
[M+Na]+ 198.05254 143.4
[M-H]- 174.05604 136.5
[M+NH4]+ 193.09714 153.3
[M+K]+ 214.02648 136.1
[M+H-H2O]+ 158.06058 132.4
[M+HCOO]- 220.06152 156.3
[M+CH3COO]- 234.07717 171.1
[M+Na-2H]- 196.03799 144.9
[M]+ 175.06277 133.5
[M]- 175.06387 133.5
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