CID 13586792

4,4'-dimethyl-2,2'-bipyridyl 1-oxide

Structural Information

Molecular Formula
C12H12N2O
SMILES
CC1=CC(=NC=C1)C2=[N+](C=CC(=C2)C)[O-]
InChI
InChI=1S/C12H12N2O/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15/h3-8H,1-2H3
InChIKey
VNSKKRAUVGCMPH-UHFFFAOYSA-N
Compound name
4-methyl-2-(4-methyl-2-pyridinyl)-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

200.09496 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.102236 143.3
[M+Na]+ 223.084178 152.8
[M-H]- 199.087684 146.8
[M+NH4]+ 218.128783 159.2
[M+K]+ 239.058118 144.2
[M+H-H2O]+ 183.092220 140.0
[M+HCOO]- 245.093161 165.0
[M+CH3COO]- 259.108811 177.2
[M+Na-2H]- 221.069626 151.9
[M]+ 200.09441142 141.5
[M]- 200.09550858 141.5
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