CID 2774355

2-piperidinobenzonitrile

Structural Information

Molecular Formula

C₁₂H₁₄N₂

SMILES

C1CCN(CC1)C2=CC=CC=C2C#N

InChI

InChI=1S/C12H14N2/c13-10-11-6-2-3-7-12(11)14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-9H2

InChIKey

MEBVSLLKZSAIGK-UHFFFAOYSA-N

Compound name

2-piperidin-1-ylbenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 58
Patents: 186.11569 Da
Monoisotopic Mass: 2.6
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]+	187.12297	146.8
[M+Na]+	209.10491	159.5
[M+NH4]+	204.14951	152.7
[M+K]+	225.07885	148.5
[M-H]-	185.10841	143.6
[M+Na-2H]-	207.09036	152.2
[M]+	186.11514	146.9
[M]-	186.11624	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe