CID 14910

1331-43-7

Structural Information

Molecular Formula

C₁₀H₂₀

SMILES

CCC1CCC(CC1)CC

InChI

InChI=1S/C10H20/c1-3-9-5-7-10(4-2)8-6-9/h9-10H,3-8H2,1-2H3

InChIKey

SMAKEJNOUFLEEJ-UHFFFAOYSA-N

Compound name

1,4-diethylcyclohexane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 1198
Patents: 140.1565 Da
Monoisotopic Mass: 4.8
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]+	141.163776	133.5
[M+Na]+	163.145718	138.3
[M-H]-	139.149224	136.3
[M+NH4]+	158.190323	155.4
[M+K]+	179.119658	137.1
[M+H-H2O]+	123.153760	128.3
[M+HCOO]-	185.154701	153.4
[M+CH3COO]-	199.170351	176.7
[M+Na-2H]-	161.131166	137.6
[M]+	140.15595142	129.8
[M]-	140.15704858	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe