CID 22766

3-hexylpyridine

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

CCCCCCC1=CN=CC=C1

InChI

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

InChIKey

LWEQIZSFZFUWIE-UHFFFAOYSA-N

Compound name

3-hexylpyridine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 239
Patents: 163.1361 Da
Monoisotopic Mass: 3.5
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]+	164.14338	137.3
[M+Na]+	186.12532	143.9
[M-H]-	162.12882	138.9
[M+NH4]+	181.16992	156.8
[M+K]+	202.09926	141.5
[M+H-H2O]+	146.13336	130.5
[M+HCOO]-	208.13430	159.9
[M+CH3COO]-	222.14995	180.2
[M+Na-2H]-	184.11077	144.6
[M]+	163.13555	138.5
[M]-	163.13665	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe