CID 5283359

2,4,6-undecatrienal

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

CCCC/C=C/C=C/C=C/C=O

InChI

InChI=1S/C11H16O/c1-2-3-4-5-6-7-8-9-10-11-12/h5-11H,2-4H2,1H3/b6-5+,8-7+,10-9+

InChIKey

IYJQORLVRUQEIH-SUTYWZMXSA-N

Compound name

(2E,4E,6E)-undeca-2,4,6-trienal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 164.12012 Da
Monoisotopic Mass: 3.4
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]+	165.12740	138.6
[M+Na]+	187.10934	145.2
[M-H]-	163.11284	138.3
[M+NH4]+	182.15394	159.6
[M+K]+	203.08328	141.9
[M+H-H2O]+	147.11738	133.8
[M+HCOO]-	209.11832	161.9
[M+CH3COO]-	223.13397	178.8
[M+Na-2H]-	185.09479	143.3
[M]+	164.11957	140.3
[M]-	164.12067	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe