CID 10583942

4-(3-chlorophenyl)-1,2,3,6-tetrahydropyridine

Structural Information

Molecular Formula

C₁₁H₁₂ClN

SMILES

C1CNCC=C1C2=CC(=CC=C2)Cl

InChI

InChI=1S/C11H12ClN/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-4,8,13H,5-7H2

InChIKey

GUMKLSMBRGGWAH-UHFFFAOYSA-N

Compound name

4-(3-chlorophenyl)-1,2,3,6-tetrahydropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 193.06583 Da
Monoisotopic Mass: 2.6
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]+	194.07311	140.1
[M+Na]+	216.05505	147.3
[M-H]-	192.05855	143.4
[M+NH4]+	211.09965	158.1
[M+K]+	232.02899	141.6
[M+H-H2O]+	176.06309	133.5
[M+HCOO]-	238.06403	155.2
[M+CH3COO]-	252.07968	152.1
[M+Na-2H]-	214.04050	146.2
[M]+	193.06528	136.3
[M]-	193.06638	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe