CID 101286

4-(3-pentyl)pyridine

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CCC(CC)C1=CC=NC=C1

InChI

InChI=1S/C10H15N/c1-3-9(4-2)10-5-7-11-8-6-10/h5-9H,3-4H2,1-2H3

InChIKey

YHXYCIZBTSECRP-UHFFFAOYSA-N

Compound name

4-pentan-3-ylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 203
Patents: 149.12045 Da
Monoisotopic Mass: 3.1
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]+	150.127726	133.0
[M+Na]+	172.109668	139.8
[M-H]-	148.113174	135.0
[M+NH4]+	167.154273	153.0
[M+K]+	188.083608	138.1
[M+H-H2O]+	132.117710	126.5
[M+HCOO]-	194.118651	155.0
[M+CH3COO]-	208.134301	178.0
[M+Na-2H]-	170.095116	139.7
[M]+	149.11990142	133.2
[M]-	149.12099858	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe