CID 5365552

1,4-hexadiene

Structural Information

Molecular Formula

C₆H₁₀

SMILES

C/C=C/CC=C

InChI

InChI=1S/C6H10/c1-3-5-6-4-2/h3-4,6H,1,5H2,2H3/b6-4+

InChIKey

PRBHEGAFLDMLAL-GQCTYLIASA-N

Compound name

(4E)-hexa-1,4-diene

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 6
References: 73675
Patents: 82.07825 Da
Monoisotopic Mass: 2.4
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]+	83.085526	115.1
[M+Na]+	105.06747	123.0
[M-H]-	81.070974	115.6
[M+NH4]+	100.11207	139.4
[M+K]+	121.04141	121.9
[M+H-H2O]+	65.075510	111.4
[M+HCOO]-	127.07645	139.3
[M+CH3COO]-	141.09210	164.9
[M+Na-2H]-	103.05292	122.6
[M]+	82.077701	114.9
[M]-	82.078799	114.9

Literature stripe

literature stripe

Patent stripe

patents stripe