CID 10011903

2-(piperidin-4-yl)acetonitrile

Structural Information

Molecular Formula

C₇H₁₂N₂

SMILES

C1CNCCC1CC#N

InChI

InChI=1S/C7H12N2/c8-4-1-7-2-5-9-6-3-7/h7,9H,1-3,5-6H2

InChIKey

ZVTFIBQPABQXLK-UHFFFAOYSA-N

Compound name

2-piperidin-4-ylacetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 197
Patents: 124.10005 Da
Monoisotopic Mass: 0.2
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]+	125.107326	124.8
[M+Na]+	147.089268	131.8
[M-H]-	123.092774	124.8
[M+NH4]+	142.133873	142.7
[M+K]+	163.063208	129.1
[M+H-H2O]+	107.097310	112.4
[M+HCOO]-	169.098251	139.9
[M+CH3COO]-	183.113901	181.2
[M+Na-2H]-	145.074716	130.7
[M]+	124.09950142	114.0
[M]-	124.10059858	114.0

Literature stripe

literature stripe

Patent stripe

patents stripe