CID 136477

1-piperidino-1-isobutene

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

CC(=CN1CCCCC1)C

InChI

InChI=1S/C9H17N/c1-9(2)8-10-6-4-3-5-7-10/h8H,3-7H2,1-2H3

InChIKey

ZQZUJFQBFGFJMM-UHFFFAOYSA-N

Compound name

1-(2-methylprop-1-enyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 26
Patents: 139.1361 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]+	140.14338	133.3
[M+Na]+	162.12532	137.7
[M-H]-	138.12882	134.4
[M+NH4]+	157.16992	153.4
[M+K]+	178.09926	136.5
[M+H-H2O]+	122.13336	127.0
[M+HCOO]-	184.13430	151.4
[M+CH3COO]-	198.14995	174.4
[M+Na-2H]-	160.11077	137.3
[M]+	139.13555	128.0
[M]-	139.13665	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe