CID 572805

4-[2-(1-oxido-4-pyridinyl)ethyl]pyridine 1-oxide

Structural Information

Molecular Formula
C12H12N2O2
SMILES
C1=C[N+](=CC=C1CCC2=CC=[N+](C=C2)[O-])[O-]
InChI
InChI=1S/C12H12N2O2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,1-2H2
InChIKey
PZQQPQTYRCAABP-UHFFFAOYSA-N
Compound name
1-oxido-4-[2-(1-oxidopyridin-1-ium-4-yl)ethyl]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

216.08987 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.097146 151.2
[M+Na]+ 239.079088 158.4
[M-H]- 215.082594 152.9
[M+NH4]+ 234.123693 164.4
[M+K]+ 255.053028 145.0
[M+H-H2O]+ 199.087130 152.0
[M+HCOO]- 261.088071 171.3
[M+CH3COO]- 275.103721 170.9
[M+Na-2H]- 237.064536 161.1
[M]+ 216.08932142 146.5
[M]- 216.09041858 146.5
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

No patent data available for this compound.