CID 17986291

796600-10-7

Structural Information

Molecular Formula

C₁₂H₁₃ClN₂O

SMILES

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

InChI

InChI=1S/C12H13ClN2O/c13-12-7-11(2-1-9(12)8-14)16-10-3-5-15-6-4-10/h1-2,7,10,15H,3-6H2

InChIKey

AZTMLAAAPWXHMV-UHFFFAOYSA-N

Compound name

2-chloro-4-piperidin-4-yloxybenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 236.07164 Da
Monoisotopic Mass: 2.4
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]+	237.078916	150.9
[M+Na]+	259.060858	160.0
[M-H]-	235.064364	153.2
[M+NH4]+	254.105463	165.5
[M+K]+	275.034798	153.1
[M+H-H2O]+	219.068900	137.7
[M+HCOO]-	281.069841	161.8
[M+CH3COO]-	295.085491	160.6
[M+Na-2H]-	257.046306	154.4
[M]+	236.07109142	143.0
[M]-	236.07218858	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe