CID 155325

4-(4-fluorophenyl)-1-methyl-1,2,3,6-tetrahydropyridine

Structural Information

Molecular Formula
C12H14FN
SMILES
CN1CCC(=CC1)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H14FN/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h2-6H,7-9H2,1H3
InChIKey
FYGWJEDFEJZMIC-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

46
Patents

191.11102 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.11830 140.6
[M+Na]+ 214.10024 148.0
[M-H]- 190.10374 144.4
[M+NH4]+ 209.14484 158.9
[M+K]+ 230.07418 144.4
[M+H-H2O]+ 174.10828 132.1
[M+HCOO]- 236.10922 160.4
[M+CH3COO]- 250.12487 184.3
[M+Na-2H]- 212.08569 145.8
[M]+ 191.11047 136.3
[M]- 191.11157 136.3
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