CID 26289

4-isopropylbenzonitrile

Structural Information

Molecular Formula

C₁₀H₁₁N

SMILES

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

InChI

InChI=1S/C10H11N/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,1-2H3

InChIKey

YFDJCWXBKWRDPW-UHFFFAOYSA-N

Compound name

4-propan-2-ylbenzonitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 1548
Patents: 145.08914 Da
Monoisotopic Mass: 3.0
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]+	146.09642	132.1
[M+Na]+	168.07836	145.0
[M+NH4]+	163.12296	138.1
[M+K]+	184.05230	135.1
[M-H]-	144.08186	127.7
[M+Na-2H]-	166.06381	137.2
[M]+	145.08859	132.0
[M]-	145.08969	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe