CID 521478

4-ethyl-3-octen

Structural Information

Molecular Formula

C₁₀H₂₀

SMILES

CCCCC(=CCC)CC

InChI

InChI=1S/C10H20/c1-4-7-9-10(6-3)8-5-2/h8H,4-7,9H2,1-3H3

InChIKey

NOBLDEYGTBPLMF-UHFFFAOYSA-N

Compound name

4-ethyloct-3-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 140.1565 Da
Monoisotopic Mass: 4.7
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]+	141.163776	135.9
[M+Na]+	163.145718	141.6
[M-H]-	139.149224	135.7
[M+NH4]+	158.190323	157.9
[M+K]+	179.119658	140.4
[M+H-H2O]+	123.153760	131.3
[M+HCOO]-	185.154701	157.6
[M+CH3COO]-	199.170351	178.8
[M+Na-2H]-	161.131166	139.8
[M]+	140.15595142	137.3
[M]-	140.15704858	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe