CID 550804

2-ethyl-1-octene

Structural Information

Molecular Formula

C₁₀H₂₀

SMILES

CCCCCCC(=C)CC

InChI

InChI=1S/C10H20/c1-4-6-7-8-9-10(3)5-2/h3-9H2,1-2H3

InChIKey

XZJZVNABSFJYOK-UHFFFAOYSA-N

Compound name

3-methylidenenonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1321
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	135.7
[M+Na]+	163.145718	141.4
[M-H]-	139.149224	135.5
[M+NH4]+	158.190323	157.6
[M+K]+	179.119658	140.1
[M+H-H2O]+	123.153760	131.1
[M+HCOO]-	185.154701	157.4
[M+CH3COO]-	199.170351	179.5
[M+Na-2H]-	161.131166	139.6
[M]+	140.15595142	137.2
[M]-	140.15704858	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe