CID 31506

22752-98-3

Structural Information

Molecular Formula
C10H9N2
SMILES
C1=CC=[N+](C=C1)C2=CC=NC=C2
InChI
InChI=1S/C10H9N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h1-9H/q+1
InChIKey
IYYUWAULZBEIST-UHFFFAOYSA-N
Compound name
4-pyridin-1-ium-1-ylpyridine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

352
Patents

157.07657 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.083846 132.3
[M+Na]+ 180.065788 140.6
[M-H]- 156.069294 136.6
[M+NH4]+ 175.110393 149.9
[M+K]+ 196.039728 131.9
[M+H-H2O]+ 140.073830 126.7
[M+HCOO]- 202.074771 155.1
[M+CH3COO]- 216.090421 169.2
[M+Na-2H]- 178.051236 145.0
[M]+ 157.07602142 129.8
[M]- 157.07711858 129.8
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