CID 6421573

1-benzyl-1,2,3,6-tetrahydropyridine

Structural Information

Molecular Formula

C₁₂H₁₅N

SMILES

C1CN(CC=C1)CC2=CC=CC=C2

InChI

InChI=1S/C12H15N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-5,7-8H,6,9-11H2

InChIKey

SIRJFTFGHZXRRZ-UHFFFAOYSA-N

Compound name

1-benzyl-3,6-dihydro-2H-pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 253
Patents: 173.12045 Da
Monoisotopic Mass: 2.4
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]+	174.12773	137.9
[M+Na]+	196.10967	143.3
[M-H]-	172.11317	142.3
[M+NH4]+	191.15427	156.3
[M+K]+	212.08361	140.2
[M+H-H2O]+	156.11771	130.0
[M+HCOO]-	218.11865	158.8
[M+CH3COO]-	232.13430	150.2
[M+Na-2H]-	194.09512	145.2
[M]+	173.11990	133.9
[M]-	173.12100	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe