CID 11355618

3-(pyridin-4-yl)pyridine dihydrochloride

Structural Information

Molecular Formula
C10H8N2
SMILES
C1=CC(=CN=C1)C2=CC=NC=C2
InChI
InChI=1S/C10H8N2/c1-2-10(8-12-5-1)9-3-6-11-7-4-9/h1-8H
InChIKey
YTEIHWVCQJZNEN-UHFFFAOYSA-N
Compound name
3-pyridin-4-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1261
Patents

156.06874 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07602 130.2
[M+Na]+ 179.05796 138.7
[M-H]- 155.06146 134.2
[M+NH4]+ 174.10256 148.1
[M+K]+ 195.03190 135.3
[M+H-H2O]+ 139.06600 121.9
[M+HCOO]- 201.06694 153.3
[M+CH3COO]- 215.08259 143.8
[M+Na-2H]- 177.04341 140.8
[M]+ 156.06819 128.9
[M]- 156.06929 128.9
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