CID 67319

3,5-dibutylpyridine

Structural Information

Molecular Formula

C₁₃H₂₁N

SMILES

CCCCC1=CC(=CN=C1)CCCC

InChI

InChI=1S/C13H21N/c1-3-5-7-12-9-13(8-6-4-2)11-14-10-12/h9-11H,3-8H2,1-2H3

InChIKey

PJOMZRGTNZQMMB-UHFFFAOYSA-N

Compound name

3,5-dibutylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 191.1674 Da
Monoisotopic Mass: 4.6
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]+	192.174676	146.1
[M+Na]+	214.156618	152.8
[M-H]-	190.160124	147.8
[M+NH4]+	209.201223	164.8
[M+K]+	230.130558	149.9
[M+H-H2O]+	174.164660	139.1
[M+HCOO]-	236.165601	168.1
[M+CH3COO]-	250.181251	187.3
[M+Na-2H]-	212.142066	151.6
[M]+	191.16685142	148.4
[M]-	191.16794858	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe