CID 25746

Ethylcyclooctane

Structural Information

Molecular Formula

C₁₀H₂₀

SMILES

CCC1CCCCCCC1

InChI

InChI=1S/C10H20/c1-2-10-8-6-4-3-5-7-9-10/h10H,2-9H2,1H3

InChIKey

FBGUQAGGWLRXTP-UHFFFAOYSA-N

Compound name

ethylcyclooctane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2492
Patents: 140.1565 Da
Monoisotopic Mass: 5.1
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]+	141.163776	142.5
[M+Na]+	163.145718	146.1
[M-H]-	139.149224	143.9
[M+NH4]+	158.190323	152.2
[M+K]+	179.119658	146.7
[M+H-H2O]+	123.153760	139.2
[M+HCOO]-	185.154701	151.3
[M+CH3COO]-	199.170351	218.9
[M+Na-2H]-	161.131166	143.1
[M]+	140.15595142	140.2
[M]-	140.15704858	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe