CID 5358315

(e)-4-undecene

Structural Information

Molecular Formula

C₁₁H₂₂

SMILES

CCCCCC/C=C/CCC

InChI

InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h7,9H,3-6,8,10-11H2,1-2H3/b9-7+

InChIKey

JABYJIQOLGWMQW-VQHVLOKHSA-N

Compound name

(E)-undec-4-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 91
Patents: 154.17215 Da
Monoisotopic Mass: 5.2
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]+	155.17943	139.5
[M+Na]+	177.16137	150.2
[M+NH4]+	172.20597	147.9
[M+K]+	193.13531	141.9
[M-H]-	153.16487	139.8
[M+Na-2H]-	175.14682	143.4
[M]+	154.17160	141.0
[M]-	154.17270	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe