CID 3054983

1-propyl-3-(3-trifluoromethylphenyl)-1,2,5,6-tetrahydropyridine hydrochloride

Structural Information

Molecular Formula
C15H18F3N
SMILES
CCCN1CCC=C(C1)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C15H18F3N/c1-2-8-19-9-4-6-13(11-19)12-5-3-7-14(10-12)15(16,17)18/h3,5-7,10H,2,4,8-9,11H2,1H3
InChIKey
HITJUKDOEYXZRS-UHFFFAOYSA-N
Compound name
1-propyl-5-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

269.13913 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14641 161.3
[M+Na]+ 292.12835 168.0
[M-H]- 268.13185 162.0
[M+NH4]+ 287.17295 176.4
[M+K]+ 308.10229 163.2
[M+H-H2O]+ 252.13639 150.8
[M+HCOO]- 314.13733 176.3
[M+CH3COO]- 328.15298 198.5
[M+Na-2H]- 290.11380 164.1
[M]+ 269.13858 155.1
[M]- 269.13968 155.1
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