CID 597957

2-isopentyl-5-phenylpyridine #

Structural Information

Molecular Formula

C₁₆H₁₉N

SMILES

CC(C)CCC1=NC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C16H19N/c1-13(2)8-10-16-11-9-15(12-17-16)14-6-4-3-5-7-14/h3-7,9,11-13H,8,10H2,1-2H3

InChIKey

DNGUOWJQNGQRQF-UHFFFAOYSA-N

Compound name

2-(3-methylbutyl)-5-phenylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 225.15175 Da
Monoisotopic Mass: 4.5
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]+	226.159026	153.2
[M+Na]+	248.140968	159.7
[M-H]-	224.144474	158.1
[M+NH4]+	243.185573	169.9
[M+K]+	264.114908	155.6
[M+H-H2O]+	208.149010	144.9
[M+HCOO]-	270.149951	174.6
[M+CH3COO]-	284.165601	192.7
[M+Na-2H]-	246.126416	158.5
[M]+	225.15120142	153.3
[M]-	225.15229858	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe