CID 74935

2-(3-pentenyl)pyridine

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

CC=CCCC1=CC=CC=N1

InChI

InChI=1S/C10H13N/c1-2-3-4-7-10-8-5-6-9-11-10/h2-3,5-6,8-9H,4,7H2,1H3

InChIKey

SKHYVKHUYKQNJE-UHFFFAOYSA-N

Compound name

2-pent-3-enylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 147.1048 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]+	148.11208	131.5
[M+Na]+	170.09402	139.0
[M-H]-	146.09752	133.4
[M+NH4]+	165.13862	151.7
[M+K]+	186.06796	136.2
[M+H-H2O]+	130.10206	125.0
[M+HCOO]-	192.10300	154.7
[M+CH3COO]-	206.11865	175.6
[M+Na-2H]-	168.07947	139.5
[M]+	147.10425	131.6
[M]-	147.10535	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe