CID 103790

Acetaldehyde, [(2-ethylhexyl)oxy]-

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CCCCC(CC)COCC=O

InChI

InChI=1S/C10H20O2/c1-3-5-6-10(4-2)9-12-8-7-11/h7,10H,3-6,8-9H2,1-2H3

InChIKey

IIBNIMNYBVUIAL-UHFFFAOYSA-N

Compound name

2-(2-ethylhexoxy)acetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 172.14633 Da
Monoisotopic Mass: 2.7
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]+	173.15361	142.2
[M+Na]+	195.13555	147.9
[M-H]-	171.13905	141.9
[M+NH4]+	190.18015	162.7
[M+K]+	211.10949	147.4
[M+H-H2O]+	155.14359	137.1
[M+HCOO]-	217.14453	164.4
[M+CH3COO]-	231.16018	183.2
[M+Na-2H]-	193.12100	146.0
[M]+	172.14578	146.6
[M]-	172.14688	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe