CID 3066291

Crl 41124

Structural Information

Molecular Formula

C₁₃H₁₇N

SMILES

CCN1CCC=C(C1)C2=CC=CC=C2

InChI

InChI=1S/C13H17N/c1-2-14-10-6-9-13(11-14)12-7-4-3-5-8-12/h3-5,7-9H,2,6,10-11H2,1H3

InChIKey

WYNKGOQATMYUNG-UHFFFAOYSA-N

Compound name

1-ethyl-5-phenyl-3,6-dihydro-2H-pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 187.1361 Da
Monoisotopic Mass: 2.5
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]+	188.143376	142.3
[M+Na]+	210.125318	148.3
[M-H]-	186.128824	147.0
[M+NH4]+	205.169923	160.5
[M+K]+	226.099258	145.0
[M+H-H2O]+	170.133360	134.5
[M+HCOO]-	232.134301	162.9
[M+CH3COO]-	246.149951	183.5
[M+Na-2H]-	208.110766	148.4
[M]+	187.13555142	139.1
[M]-	187.13664858	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe