CID 11829725

6-phenyl-2,3,4,5-tetrahydropyridine

Structural Information

Molecular Formula

C₁₁H₁₃N

SMILES

C1CCN=C(C1)C2=CC=CC=C2

InChI

InChI=1S/C11H13N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-3,6-7H,4-5,8-9H2

InChIKey

XEJFZEYFXUTFPM-UHFFFAOYSA-N

Compound name

6-phenyl-2,3,4,5-tetrahydropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 120
Patents: 159.1048 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	160.112076	133.3
[M+Na]+	182.094018	139.2
[M-H]-	158.097524	137.9
[M+NH4]+	177.138623	152.3
[M+K]+	198.067958	136.3
[M+H-H2O]+	142.102060	125.7
[M+HCOO]-	204.103001	154.5
[M+CH3COO]-	218.118651	146.1
[M+Na-2H]-	180.079466	141.2
[M]+	159.10425142	128.9
[M]-	159.10534858	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe