CID 574530

1-(2-cyanoethyl)-2-pipecoline

Structural Information

Molecular Formula

C₉H₁₆N₂

SMILES

CC1CCCCN1CCC#N

InChI

InChI=1S/C9H16N2/c1-9-5-2-3-7-11(9)8-4-6-10/h9H,2-5,7-8H2,1H3

InChIKey

SJFHISLGBSSBQE-UHFFFAOYSA-N

Compound name

3-(2-methylpiperidin-1-yl)propanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 152.13135 Da
Monoisotopic Mass: 1.2
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]+	153.138626	130.7
[M+Na]+	175.120568	138.2
[M-H]-	151.124074	132.0
[M+NH4]+	170.165173	148.6
[M+K]+	191.094508	135.9
[M+H-H2O]+	135.128610	117.9
[M+HCOO]-	197.129551	146.6
[M+CH3COO]-	211.145201	190.1
[M+Na-2H]-	173.106016	135.5
[M]+	152.13080142	122.6
[M]-	152.13189858	122.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe