CID 5352782

3-(but-1-enyl)pyridine

Structural Information

Molecular Formula

C₉H₁₁N

SMILES

CC/C=C/C1=CN=CC=C1

InChI

InChI=1S/C9H11N/c1-2-3-5-9-6-4-7-10-8-9/h3-8H,2H2,1H3/b5-3+

InChIKey

KTXMSWAHSUYOHZ-HWKANZROSA-N

Compound name

3-[(E)-but-1-enyl]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 133.08914 Da
Monoisotopic Mass: 2.1
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]+	134.09642	126.9
[M+Na]+	156.07836	134.7
[M-H]-	132.08186	129.0
[M+NH4]+	151.12296	147.6
[M+K]+	172.05230	132.3
[M+H-H2O]+	116.08640	120.6
[M+HCOO]-	178.08734	150.4
[M+CH3COO]-	192.10299	172.6
[M+Na-2H]-	154.06381	135.4
[M]+	133.08859	126.6
[M]-	133.08969	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe