CID 5357253

Trans-4-octene

Structural Information

Molecular Formula

C₈H₁₆

SMILES

CCC/C=C/CCC

InChI

InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7+

InChIKey

IRUCBBFNLDIMIK-BQYQJAHWSA-N

Compound name

(E)-oct-4-ene

Related CIDs

2D Structure

compound 2d structure

3
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	132.9
[M-H]-	111.11792	126.2
[M+NH4]+	130.15902	149.3
[M+K]+	151.08836	131.8
[M+H-H2O]+	95.122460	121.9
[M+HCOO]-	157.12340	149.5
[M+CH3COO]-	171.13905	171.9
[M+Na-2H]-	133.09987	132.4
[M]+	112.12465	127.4
[M]-	112.12575	127.4

Literature stripe

literature stripe

Patent stripe

patents stripe