CID 5283358

2,5-undecadienal

Structural Information

Molecular Formula

C₁₁H₁₈O

SMILES

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

InChI

InChI=1S/C11H18O/c1-2-3-4-5-6-7-8-9-10-11-12/h6-7,9-11H,2-5,8H2,1H3/b7-6+,10-9+

InChIKey

XCXOPZBEPMNLSI-AVQMFFATSA-N

Compound name

(2E,5E)-undeca-2,5-dienal

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 34
Patents: 166.13577 Da
Monoisotopic Mass: 3.5
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]+	167.143046	140.1
[M+Na]+	189.124988	146.4
[M-H]-	165.128494	139.7
[M+NH4]+	184.169593	161.0
[M+K]+	205.098928	143.6
[M+H-H2O]+	149.133030	135.2
[M+HCOO]-	211.133971	163.2
[M+CH3COO]-	225.149621	180.4
[M+Na-2H]-	187.110436	144.8
[M]+	166.13522142	142.6
[M]-	166.13631858	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe