CID 5367417

Divinylethylene

Structural Information

Molecular Formula

C₆H₈

SMILES

C=C/C=C/C=C

InChI

InChI=1S/C6H8/c1-3-5-6-4-2/h3-6H,1-2H2/b6-5+

InChIKey

AFVDZBIIBXWASR-AATRIKPKSA-N

Compound name

(3E)-hexa-1,3,5-triene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 64
References: 6949
Patents: 80.0626 Da
Monoisotopic Mass: 2.5
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]+	81.069876	116.1
[M+Na]+	103.05182	127.9
[M+NH4]+	98.096423	124.8
[M+K]+	119.02576	120.6
[M-H]-	79.055324	116.1
[M+Na-2H]-	101.03727	121.0
[M]+	80.062051	117.6
[M]-	80.063149	117.6

Literature stripe

literature stripe

Patent stripe

patents stripe