CID 10511777

2-(piperidin-4-yl)benzonitrile

Structural Information

Molecular Formula

C₁₂H₁₄N₂

SMILES

C1CNCCC1C2=CC=CC=C2C#N

InChI

InChI=1S/C12H14N2/c13-9-11-3-1-2-4-12(11)10-5-7-14-8-6-10/h1-4,10,14H,5-8H2

InChIKey

XZCWBSDEASNABK-UHFFFAOYSA-N

Compound name

2-piperidin-4-ylbenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 186.11569 Da
Monoisotopic Mass: 1.8
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]+	187.122966	142.5
[M+Na]+	209.104908	150.1
[M-H]-	185.108414	144.7
[M+NH4]+	204.149513	157.9
[M+K]+	225.078848	144.3
[M+H-H2O]+	169.112950	128.7
[M+HCOO]-	231.113891	157.3
[M+CH3COO]-	245.129541	152.4
[M+Na-2H]-	207.090356	147.1
[M]+	186.11514142	131.1
[M]-	186.11623858	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe