CID 521124

1-isopropyl-1-cyclohexene

Structural Information

Molecular Formula

C₉H₁₆

SMILES

CC(C)C1=CCCCC1

InChI

InChI=1S/C9H16/c1-8(2)9-6-4-3-5-7-9/h6,8H,3-5,7H2,1-2H3

InChIKey

ZYMCVIZKLGUPBG-UHFFFAOYSA-N

Compound name

1-propan-2-ylcyclohexene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 619
Patents: 124.1252 Da
Monoisotopic Mass: 3.1
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]+	125.13248	128.0
[M+Na]+	147.11442	139.9
[M+NH4]+	142.15902	138.2
[M+K]+	163.08836	133.0
[M-H]-	123.11792	131.1
[M+Na-2H]-	145.09987	134.8
[M]+	124.12465	130.6
[M]-	124.12575	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe