CID 18164

3010-03-5

Structural Information

Molecular Formula

C₇H₁₂N₂

SMILES

C1CCN(CC1)CC#N

InChI

InChI=1S/C7H12N2/c8-4-7-9-5-2-1-3-6-9/h1-3,5-7H2

InChIKey

CLVBVRODHJFTGF-UHFFFAOYSA-N

Compound name

2-piperidin-1-ylacetonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1461
Patents: 124.10005 Da
Monoisotopic Mass: 0.9
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]+	125.10733	123.1
[M+Na]+	147.08927	130.6
[M-H]-	123.09277	124.3
[M+NH4]+	142.13387	141.7
[M+K]+	163.06321	128.6
[M+H-H2O]+	107.09731	110.5
[M+HCOO]-	169.09825	139.6
[M+CH3COO]-	183.11390	183.7
[M+Na-2H]-	145.07472	129.6
[M]+	124.09950	114.1
[M]-	124.10060	114.1

Literature stripe

literature stripe

Patent stripe

patents stripe