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: 868
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]+	139.122966	127.0
[M+Na]+	161.104908	134.1
[M-H]-	137.108414	128.1
[M+NH4]+	156.149513	145.1
[M+K]+	177.078848	131.9
[M+H-H2O]+	121.112950	114.2
[M+HCOO]-	183.113891	143.2
[M+CH3COO]-	197.129541	186.4
[M+Na-2H]-	159.090356	133.0
[M]+	138.11514142	118.3
[M]-	138.11623858	118.3

Literature stripe

literature stripe

Patent stripe

patents stripe