CID 5367412

1,3,5-undecatriene

Structural Information

Molecular Formula

C₁₁H₁₈

SMILES

CCCCC/C=C/C=C/C=C

InChI

InChI=1S/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h3,5,7,9,11H,1,4,6,8,10H2,2H3/b7-5+,11-9+

InChIKey

JQQDKNVOSLONRS-JEGFTUTRSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 3
References: 3133
Patents: 150.14085 Da
Monoisotopic Mass: 4.8
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]+	151.14813	136.7
[M+Na]+	173.13007	143.0
[M-H]-	149.13357	136.4
[M+NH4]+	168.17467	158.3
[M+K]+	189.10401	139.9
[M+H-H2O]+	133.13811	132.1
[M+HCOO]-	195.13905	159.6
[M+CH3COO]-	209.15470	178.5
[M+Na-2H]-	171.11552	141.5
[M]+	150.14030	137.8
[M]-	150.14140	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe