CID 79100

1-(but-2-en-1-yl)piperidine

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

CC=CCN1CCCCC1

InChI

InChI=1S/C9H17N/c1-2-3-7-10-8-5-4-6-9-10/h2-3H,4-9H2,1H3

InChIKey

XQOHGUZOLKLXLU-UHFFFAOYSA-N

Compound name

1-but-2-enylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 80
Patents: 139.1361 Da
Monoisotopic Mass: 2.0
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]+	140.143376	133.1
[M+Na]+	162.125318	137.7
[M-H]-	138.128824	134.1
[M+NH4]+	157.169923	153.2
[M+K]+	178.099258	136.0
[M+H-H2O]+	122.133360	126.6
[M+HCOO]-	184.134301	152.2
[M+CH3COO]-	198.149951	173.6
[M+Na-2H]-	160.110766	138.3
[M]+	139.13555142	128.4
[M]-	139.13664858	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe