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: 63
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]+	203.117886	144.9
[M+Na]+	225.099828	152.3
[M-H]-	201.103334	147.0
[M+NH4]+	220.144433	159.6
[M+K]+	241.073768	147.1
[M+H-H2O]+	185.107870	130.9
[M+HCOO]-	247.108811	159.8
[M+CH3COO]-	261.124461	193.6
[M+Na-2H]-	223.085276	149.5
[M]+	202.11006142	134.8
[M]-	202.11115858	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe