CID 14250377

(4e,6e)-undeca-4,6-dienal

Structural Information

Molecular Formula

C₁₁H₁₈O

SMILES

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

InChI

InChI=1S/C11H18O/c1-2-3-4-5-6-7-8-9-10-11-12/h5-8,11H,2-4,9-10H2,1H3/b6-5+,8-7+

InChIKey

RPLCHVGVUPGNRY-BSWSSELBSA-N

Compound name

(4E,6E)-undeca-4,6-dienal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.13577 Da
Monoisotopic Mass: 3.2
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]+	167.14305	140.1
[M+Na]+	189.12499	146.4
[M-H]-	165.12849	139.7
[M+NH4]+	184.16959	161.0
[M+K]+	205.09893	143.6
[M+H-H2O]+	149.13303	135.2
[M+HCOO]-	211.13397	163.2
[M+CH3COO]-	225.14962	180.4
[M+Na-2H]-	187.11044	144.8
[M]+	166.13522	142.6
[M]-	166.13632	142.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.