CID 1201370

4-isohexylpyridine

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

CC(C)CCCC1=CC=NC=C1

InChI

InChI=1S/C11H17N/c1-10(2)4-3-5-11-6-8-12-9-7-11/h6-10H,3-5H2,1-2H3

InChIKey

ZPLJAHIMDRYVIX-UHFFFAOYSA-N

Compound name

4-(4-methylpentyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 163.1361 Da
Monoisotopic Mass: 3.4
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]+	164.14338	137.9
[M+Na]+	186.12532	150.9
[M+NH4]+	181.16992	146.9
[M+K]+	202.09926	143.4
[M-H]-	162.12882	140.2
[M+Na-2H]-	184.11077	145.4
[M]+	163.13555	140.4
[M]-	163.13665	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe