CID 2724270

2,4-diethyl-2,6-heptadienal

Structural Information

Molecular Formula

C₁₁H₁₈O

SMILES

CCC(CC=C)C=C(CC)C=O

InChI

InChI=1S/C11H18O/c1-4-7-10(5-2)8-11(6-3)9-12/h4,8-10H,1,5-7H2,2-3H3

InChIKey

QAFGEOHWEQLURJ-UHFFFAOYSA-N

Compound name

2,4-diethylhepta-2,6-dienal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 190
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	141.8
[M+Na]+	189.12499	151.4
[M+NH4]+	184.16959	148.8
[M+K]+	205.09893	145.1
[M-H]-	165.12849	140.7
[M+Na-2H]-	187.11044	144.2
[M]+	166.13522	142.6
[M]-	166.13632	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe