CID 11600

Hexa-2,4-diene

Structural Information

Molecular Formula

C₆H₁₀

SMILES

CC=CC=CC

InChI

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

InChIKey

APPOKADJQUIAHP-UHFFFAOYSA-N

Compound name

hexa-2,4-diene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 14
References: 47439
Patents: 82.07825 Da
Monoisotopic Mass: 2.8
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	115.2
[M+Na]+	105.067468	123.3
[M-H]-	81.070974	115.8
[M+NH4]+	100.112073	139.6
[M+K]+	121.041408	122.2
[M+H-H2O]+	65.075510	111.6
[M+HCOO]-	127.076451	139.5
[M+CH3COO]-	141.092101	164.2
[M+Na-2H]-	103.052916	122.7
[M]+	82.07770142	115.1
[M]-	82.07879858	115.1

Literature stripe

literature stripe

Patent stripe

patents stripe