CID 62140265

2-cyclobutoxybenzonitrile

Structural Information

Molecular Formula

C₁₁H₁₁NO

SMILES

C1CC(C1)OC2=CC=CC=C2C#N

InChI

InChI=1S/C11H11NO/c12-8-9-4-1-2-7-11(9)13-10-5-3-6-10/h1-2,4,7,10H,3,5-6H2

InChIKey

KMRNPPBITIARSB-UHFFFAOYSA-N

Compound name

2-cyclobutyloxybenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 173.08406 Da
Monoisotopic Mass: 2.5
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]+	174.091336	129.7
[M+Na]+	196.073278	137.9
[M-H]-	172.076784	135.5
[M+NH4]+	191.117883	142.3
[M+K]+	212.047218	138.6
[M+H-H2O]+	156.081320	112.9
[M+HCOO]-	218.082261	148.9
[M+CH3COO]-	232.097911	195.2
[M+Na-2H]-	194.058726	136.1
[M]+	173.08351142	132.3
[M]-	173.08460858	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe