CID 68752853

4-cyclobutylbenzonitrile

Structural Information

Molecular Formula

C₁₁H₁₁N

SMILES

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

InChI

InChI=1S/C11H11N/c12-8-9-4-6-11(7-5-9)10-2-1-3-10/h4-7,10H,1-3H2

InChIKey

KLJSCSFXQUQSFT-UHFFFAOYSA-N

Compound name

4-cyclobutylbenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 157.08914 Da
Monoisotopic Mass: 3.2
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]+	158.09642	135.0
[M+Na]+	180.07836	143.9
[M+NH4]+	175.12296	137.9
[M+K]+	196.05230	135.4
[M-H]-	156.08186	129.8
[M+Na-2H]-	178.06381	138.8
[M]+	157.08859	133.1
[M]-	157.08969	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe