CID 56936106

3z,6z-eicosadiene

Structural Information

Molecular Formula

C₂₀H₃₈

SMILES

CCCCCCCCCCCCC/C=C\C/C=C\CC

InChI

InChI=1S/C20H38/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h5,7,11,13H,3-4,6,8-10,12,14-20H2,1-2H3/b7-5-,13-11-

InChIKey

HRODFGUFDBTUDP-DPTWWRMPSA-N

Compound name

(3Z,6Z)-icosa-3,6-diene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 278.29736 Da
Monoisotopic Mass: 9.4
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]+	279.30464	179.3
[M+Na]+	301.28658	181.5
[M-H]-	277.29008	177.1
[M+NH4]+	296.33118	195.8
[M+K]+	317.26052	176.4
[M+H-H2O]+	261.29462	172.7
[M+HCOO]-	323.29556	198.9
[M+CH3COO]-	337.31121	206.6
[M+Na-2H]-	299.27203	179.0
[M]+	278.29681	184.4
[M]-	278.29791	184.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe