CID 18338

3088-41-3

Structural Information

Molecular Formula

C₈H₁₄N₂

SMILES

C1CCN(CC1)CCC#N

InChI

InChI=1S/C8H14N2/c9-5-4-8-10-6-2-1-3-7-10/h1-4,6-8H2

InChIKey

YZICFVIUVMCCOC-UHFFFAOYSA-N

Compound name

3-piperidin-1-ylpropanenitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 886
Patents: 138.11569 Da
Monoisotopic Mass: 0.8
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]+	139.12297	127.0
[M+Na]+	161.10491	134.1
[M-H]-	137.10841	128.1
[M+NH4]+	156.14951	145.1
[M+K]+	177.07885	131.9
[M+H-H2O]+	121.11295	114.2
[M+HCOO]-	183.11389	143.2
[M+CH3COO]-	197.12954	186.4
[M+Na-2H]-	159.09036	133.0
[M]+	138.11514	118.3
[M]-	138.11624	118.3

Literature stripe

literature stripe

Patent stripe

patents stripe