CID 56936065

6-ethyl-4-methyl-3e,5e,7e-decatriene

Structural Information

Molecular Formula

C₁₃H₂₂

SMILES

CC/C=C/C(=C/C(=C/CC)/C)/CC

InChI

InChI=1S/C13H22/c1-5-8-10-13(7-3)11-12(4)9-6-2/h8-11H,5-7H2,1-4H3/b10-8+,12-9+,13-11+

InChIKey

XVFSRVJYTDFHHZ-GCMZYXHCSA-N

Compound name

(3E,5E,7E)-6-ethyl-4-methyldeca-3,5,7-triene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 178.17215 Da
Monoisotopic Mass: 5.5
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]+	179.17943	146.8
[M+Na]+	201.16137	151.9
[M-H]-	177.16487	146.4
[M+NH4]+	196.20597	167.3
[M+K]+	217.13531	149.1
[M+H-H2O]+	161.16941	142.0
[M+HCOO]-	223.17035	167.1
[M+CH3COO]-	237.18600	185.4
[M+Na-2H]-	199.14682	147.9
[M]+	178.17160	147.2
[M]-	178.17270	147.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.