CID 78405

3-propylpyridine

Structural Information

Molecular Formula

C₈H₁₁N

SMILES

CCCC1=CN=CC=C1

InChI

InChI=1S/C8H11N/c1-2-4-8-5-3-6-9-7-8/h3,5-7H,2,4H2,1H3

InChIKey

MLAXEZHEGARMPE-UHFFFAOYSA-N

Compound name

3-propylpyridine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2774
Patents: 121.08915 Da
Monoisotopic Mass: 1.9
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]+	122.09643	123.3
[M+Na]+	144.07837	131.2
[M-H]-	120.08187	125.5
[M+NH4]+	139.12297	144.5
[M+K]+	160.05231	129.7
[M+H-H2O]+	104.08641	117.2
[M+HCOO]-	166.08735	147.0
[M+CH3COO]-	180.10300	171.1
[M+Na-2H]-	142.06382	132.4
[M]+	121.08860	123.4
[M]-	121.08970	123.4

Literature stripe

literature stripe

Patent stripe

patents stripe