CID 10197819

5-phenyl-1,2,3,6-tetrahydropyridine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₃N

SMILES

C1CNCC(=C1)C2=CC=CC=C2

InChI

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

InChIKey

ZKGZDIKALAEIGH-UHFFFAOYSA-N

Compound name

5-phenyl-1,2,3,6-tetrahydropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 159.1048 Da
Monoisotopic Mass: 1.7
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	133.8
[M+Na]+	182.094018	139.3
[M-H]-	158.097524	137.0
[M+NH4]+	177.138623	152.1
[M+K]+	198.067958	135.5
[M+H-H2O]+	142.102060	126.5
[M+HCOO]-	204.103001	153.6
[M+CH3COO]-	218.118651	145.9
[M+Na-2H]-	180.079466	141.2
[M]+	159.10425142	127.6
[M]-	159.10534858	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe