CID 477653

127680-89-1

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

C1CCN(CC1)C2=NC=CC(=C2)C#N

InChI

InChI=1S/C11H13N3/c12-9-10-4-5-13-11(8-10)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2

InChIKey

RCMZEWFYJLACAL-UHFFFAOYSA-N

Compound name

2-piperidin-1-ylpyridine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 187.11095 Da
Monoisotopic Mass: 1.9
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]+	188.11823	139.4
[M+Na]+	210.10017	147.3
[M-H]-	186.10367	141.2
[M+NH4]+	205.14477	153.9
[M+K]+	226.07411	142.7
[M+H-H2O]+	170.10821	124.1
[M+HCOO]-	232.10915	154.4
[M+CH3COO]-	246.12480	149.5
[M+Na-2H]-	208.08562	145.0
[M]+	187.11040	129.6
[M]-	187.11150	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe