CID 67421994

1196125-36-6

Structural Information

Molecular Formula

C₁₁H₁₁NO

SMILES

C1CC(C1)(C#N)C2=CC=C(C=C2)O

InChI

InChI=1S/C11H11NO/c12-8-11(6-1-7-11)9-2-4-10(13)5-3-9/h2-5,13H,1,6-7H2

InChIKey

HGVFOEOKKSUVTQ-UHFFFAOYSA-N

Compound name

1-(4-hydroxyphenyl)cyclobutane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 173.08406 Da
Monoisotopic Mass: 2.1
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	134.9
[M+Na]+	196.073278	143.9
[M-H]-	172.076784	140.1
[M+NH4]+	191.117883	148.7
[M+K]+	212.047218	143.2
[M+H-H2O]+	156.081320	119.4
[M+HCOO]-	218.082261	152.8
[M+CH3COO]-	232.097911	192.4
[M+Na-2H]-	194.058726	141.4
[M]+	173.08351142	136.2
[M]-	173.08460858	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe