CID 11621

Oct-4-ene

Structural Information

Molecular Formula

C₈H₁₆

SMILES

CCCC=CCCC

InChI

InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3

InChIKey

IRUCBBFNLDIMIK-UHFFFAOYSA-N

Compound name

oct-4-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 8666
Patents: 112.1252 Da
Monoisotopic Mass: 3.6
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]+	113.13248	126.1
[M+Na]+	135.11442	137.4
[M+NH4]+	130.15902	135.0
[M+K]+	151.08836	129.9
[M-H]-	111.11792	126.6
[M+Na-2H]-	133.09987	130.8
[M]+	112.12465	127.8
[M]-	112.12575	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe