CID 22030993

3-(piperidin-4-yloxy)benzonitrile

Structural Information

Molecular Formula

C₁₂H₁₄N₂O

SMILES

C1CNCCC1OC2=CC=CC(=C2)C#N

InChI

InChI=1S/C12H14N2O/c13-9-10-2-1-3-12(8-10)15-11-4-6-14-7-5-11/h1-3,8,11,14H,4-7H2

InChIKey

ZVXXHZKEDUZNMJ-UHFFFAOYSA-N

Compound name

3-piperidin-4-yloxybenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 202.11061 Da
Monoisotopic Mass: 1.7
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]+	203.11789	150.1
[M+Na]+	225.09983	161.9
[M+NH4]+	220.14443	155.1
[M+K]+	241.07377	151.7
[M-H]-	201.10333	146.0
[M+Na-2H]-	223.08528	154.6
[M]+	202.11006	149.7
[M]-	202.11116	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe