CID 119735

4-hexylpyridine

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

CCCCCCC1=CC=NC=C1

InChI

InChI=1S/C11H17N/c1-2-3-4-5-6-11-7-9-12-10-8-11/h7-10H,2-6H2,1H3

InChIKey

YWSGFNIDQLIDGL-UHFFFAOYSA-N

Compound name

4-hexylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 262
Patents: 163.1361 Da
Monoisotopic Mass: 3.7
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]+	164.143376	137.3
[M+Na]+	186.125318	143.9
[M-H]-	162.128824	138.9
[M+NH4]+	181.169923	156.8
[M+K]+	202.099258	141.5
[M+H-H2O]+	146.133360	130.5
[M+HCOO]-	208.134301	159.9
[M+CH3COO]-	222.149951	180.2
[M+Na-2H]-	184.110766	144.6
[M]+	163.13555142	138.5
[M]-	163.13664858	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe