CID 62800472

3-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine dihydrochloride

Structural Information

Molecular Formula
C10H11FN2
SMILES
C1CNCC=C1C2=CC(=CN=C2)F
InChI
InChI=1S/C10H11FN2/c11-10-5-9(6-13-7-10)8-1-3-12-4-2-8/h1,5-7,12H,2-4H2
InChIKey
MAWNCLHWENBRQY-UHFFFAOYSA-N
Compound name
3-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

178.09062 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.09790 137.0
[M+Na]+ 201.07984 144.0
[M-H]- 177.08334 137.8
[M+NH4]+ 196.12444 153.4
[M+K]+ 217.05378 139.6
[M+H-H2O]+ 161.08788 128.0
[M+HCOO]- 223.08882 154.6
[M+CH3COO]- 237.10447 148.5
[M+Na-2H]- 199.06529 143.6
[M]+ 178.09007 130.3
[M]- 178.09117 130.3
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