CID 136745

935-28-4

Structural Information

Molecular Formula

C₉H₁₃N

SMILES

CCC1=NC(=CC=C1)CC

InChI

InChI=1S/C9H13N/c1-3-8-6-5-7-9(4-2)10-8/h5-7H,3-4H2,1-2H3

InChIKey

WHTDCOSHHMXZNE-UHFFFAOYSA-N

Compound name

2,6-diethylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 675
Patents: 135.1048 Da
Monoisotopic Mass: 2.5
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]+	136.112076	127.5
[M+Na]+	158.094018	135.9
[M-H]-	134.097524	129.9
[M+NH4]+	153.138623	148.5
[M+K]+	174.067958	134.1
[M+H-H2O]+	118.102060	121.4
[M+HCOO]-	180.103001	150.8
[M+CH3COO]-	194.118651	175.2
[M+Na-2H]-	156.079466	135.3
[M]+	135.10425142	128.3
[M]-	135.10534858	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe