CID 70743

4-methoxypyridine n-oxide

Structural Information

Molecular Formula
C6H7NO2
SMILES
COC1=CC=[N+](C=C1)[O-]
InChI
InChI=1S/C6H7NO2/c1-9-6-2-4-7(8)5-3-6/h2-5H,1H3
InChIKey
BOFAIBPJCWFJFT-UHFFFAOYSA-N
Compound name
4-methoxy-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

588
Patents

125.047676 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.054952 121.4
[M+Na]+ 148.036894 130.5
[M-H]- 124.040400 123.0
[M+NH4]+ 143.081499 141.6
[M+K]+ 164.010834 125.0
[M+H-H2O]+ 108.044936 120.6
[M+HCOO]- 170.045877 145.3
[M+CH3COO]- 184.061527 160.4
[M+Na-2H]- 146.022342 131.9
[M]+ 125.04712742 120.3
[M]- 125.04822458 120.3
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