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

18
Patents

200.09496 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10224 143.3
[M+Na]+ 223.08418 152.8
[M-H]- 199.08768 146.8
[M+NH4]+ 218.12878 159.2
[M+K]+ 239.05812 144.2
[M+H-H2O]+ 183.09222 140.0
[M+HCOO]- 245.09316 165.0
[M+CH3COO]- 259.10881 177.2
[M+Na-2H]- 221.06963 151.9
[M]+ 200.09441 141.5
[M]- 200.09551 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