CID 109062

61204-00-0

Structural Information

Molecular Formula

C₁₇H₂₃N

SMILES

CCCCC1CCC(CC1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H23N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h7-8,11-12,14,16H,2-6,9-10H2,1H3

InChIKey

YYAVXASAKUOZJJ-UHFFFAOYSA-N

Compound name

4-(4-butylcyclohexyl)benzonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 472
Patents: 241.18304 Da
Monoisotopic Mass: 6.1
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]+	242.19032	161.5
[M+Na]+	264.17226	173.9
[M+NH4]+	259.21686	167.5
[M+K]+	280.14620	161.9
[M-H]-	240.17576	159.1
[M+Na-2H]-	262.15771	166.1
[M]+	241.18249	161.9
[M]-	241.18359	161.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe