CID 73937

1-ethylcyclohexene

Structural Information

Molecular Formula

C₈H₁₄

SMILES

CCC1=CCCCC1

InChI

InChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h6H,2-5,7H2,1H3

InChIKey

IFVMAGPISVKRAR-UHFFFAOYSA-N

Compound name

1-ethylcyclohexene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 6339
Patents: 110.10955 Da
Monoisotopic Mass: 2.8
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]+	111.116826	122.8
[M+Na]+	133.098768	128.5
[M-H]-	109.102274	125.9
[M+NH4]+	128.143373	145.6
[M+K]+	149.072708	127.6
[M+H-H2O]+	93.106810	117.7
[M+HCOO]-	155.107751	144.8
[M+CH3COO]-	169.123401	169.2
[M+Na-2H]-	131.084216	129.7
[M]+	110.10900142	119.4
[M]-	110.11009858	119.4

Literature stripe

literature stripe

Patent stripe

patents stripe