CID 219119

Hexadiline

Structural Information

Molecular Formula

C₁₉H₃₃N

SMILES

C1CCC(CC1)C(=CC2CCCCN2)C3CCCCC3

InChI

InChI=1S/C19H33N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h15-18,20H,1-14H2

InChIKey

IVOHRXZUGYYJIZ-UHFFFAOYSA-N

Compound name

2-(2,2-dicyclohexylethenyl)piperidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 49
Patents: 275.2613 Da
Monoisotopic Mass: 6.5
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]+	276.268576	173.5
[M+Na]+	298.250518	169.4
[M-H]-	274.254024	176.0
[M+NH4]+	293.295123	185.5
[M+K]+	314.224458	164.3
[M+H-H2O]+	258.258560	163.5
[M+HCOO]-	320.259501	180.7
[M+CH3COO]-	334.275151	178.7
[M+Na-2H]-	296.235966	170.1
[M]+	275.26075142	155.8
[M]-	275.26184858	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe