CID 18724353

96184-42-8

Structural Information

Molecular Formula

C₁₅H₁₇N

SMILES

C=CC1CCC(CC1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H17N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h2,5-6,9-10,12,14H,1,3-4,7-8H2

InChIKey

JHXJAWXZLWDDED-UHFFFAOYSA-N

Compound name

4-(4-ethenylcyclohexyl)benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 130
Patents: 211.1361 Da
Monoisotopic Mass: 4.5
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]+	212.14338	153.2
[M+Na]+	234.12532	166.0
[M+NH4]+	229.16992	159.2
[M+K]+	250.09926	154.4
[M-H]-	210.12882	150.6
[M+Na-2H]-	232.11077	158.2
[M]+	211.13555	153.6
[M]-	211.13665	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe