CID 3024795

2-(1-methylenepropyl)pyridine

Structural Information

Molecular Formula

C₉H₁₁N

SMILES

CCC(=C)C1=CC=CC=N1

InChI

InChI=1S/C9H11N/c1-3-8(2)9-6-4-5-7-10-9/h4-7H,2-3H2,1H3

InChIKey

UMRYOLDOKZBWKJ-UHFFFAOYSA-N

Compound name

2-but-1-en-2-ylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 119
Patents: 133.08914 Da
Monoisotopic Mass: 2.7
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]+	134.096416	126.9
[M+Na]+	156.078358	134.4
[M-H]-	132.081864	129.1
[M+NH4]+	151.122963	147.5
[M+K]+	172.052298	132.4
[M+H-H2O]+	116.086400	120.7
[M+HCOO]-	178.087341	149.4
[M+CH3COO]-	192.102991	174.0
[M+Na-2H]-	154.063806	134.2
[M]+	133.08859142	126.0
[M]-	133.08968858	126.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe