CID 13945813

71532-24-6

Structural Information

Molecular Formula

C₉H₁₁N

SMILES

C=CCCC1=CN=CC=C1

InChI

InChI=1S/C9H11N/c1-2-3-5-9-6-4-7-10-8-9/h2,4,6-8H,1,3,5H2

InChIKey

AXYMVRAJICZMIT-UHFFFAOYSA-N

Compound name

3-but-3-enylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 272
Patents: 133.08914 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]+	134.09642	127.9
[M+Na]+	156.07836	141.8
[M+NH4]+	151.12296	137.1
[M+K]+	172.05230	133.8
[M-H]-	132.08186	130.3
[M+Na-2H]-	154.06381	136.3
[M]+	133.08859	130.6
[M]-	133.08969	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe