CID 88242

Cyclohexene, 1-ethyl-2-methyl-

Structural Information

Molecular Formula

C₉H₁₆

SMILES

CCC1=C(CCCC1)C

InChI

InChI=1S/C9H16/c1-3-9-7-5-4-6-8(9)2/h3-7H2,1-2H3

InChIKey

CPCWTCKHZOBWJT-UHFFFAOYSA-N

Compound name

1-ethyl-2-methylcyclohexene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 62
Patents: 124.1252 Da
Monoisotopic Mass: 2.7
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	127.1
[M+Na]+	147.11442	139.7
[M+NH4]+	142.15902	137.4
[M+K]+	163.08836	132.2
[M-H]-	123.11792	130.4
[M+Na-2H]-	145.09987	134.0
[M]+	124.12465	129.9
[M]-	124.12575	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe