CID 84228

14159-55-8

Structural Information

Molecular Formula

C₁₁H₁₃N

SMILES

C1CCC(=CC1)C2=CC=CC=N2

InChI

InChI=1S/C11H13N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h4-6,8-9H,1-3,7H2

InChIKey

RMSSVEWIIHKOQK-UHFFFAOYSA-N

Compound name

2-(cyclohexen-1-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 159.1048 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]+	160.11208	133.3
[M+Na]+	182.09402	139.2
[M-H]-	158.09752	137.9
[M+NH4]+	177.13862	152.3
[M+K]+	198.06796	136.3
[M+H-H2O]+	142.10206	125.7
[M+HCOO]-	204.10300	154.5
[M+CH3COO]-	218.11865	146.1
[M+Na-2H]-	180.07947	141.2
[M]+	159.10425	128.9
[M]-	159.10535	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe