CID 12686267

1,3e,5z-undecatriene

Structural Information

Molecular Formula

C₁₁H₂₀

SMILES

CCCCC/C=C\C=C\CC

InChI

InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h5,7,9,11H,3-4,6,8,10H2,1-2H3/b7-5+,11-9-

InChIKey

XWPKMRGTMCGZKL-STRRHFTISA-N

Compound name

(3E,5Z)-undeca-3,5-diene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 118
Patents: 152.1565 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]+	153.16378	138.5
[M+Na]+	175.14572	144.4
[M-H]-	151.14922	138.1
[M+NH4]+	170.19032	160.1
[M+K]+	191.11966	141.9
[M+H-H2O]+	135.15376	133.7
[M+HCOO]-	197.15470	161.1
[M+CH3COO]-	211.17035	179.4
[M+Na-2H]-	173.13117	143.2
[M]+	152.15595	140.2
[M]-	152.15705	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe