CID 87167

(hexyloxy)acetaldehyde

Structural Information

Molecular Formula

C₈H₁₆O₂

SMILES

CCCCCCOCC=O

InChI

InChI=1S/C8H16O2/c1-2-3-4-5-7-10-8-6-9/h6H,2-5,7-8H2,1H3

InChIKey

NNBJGVGKBIFRHE-UHFFFAOYSA-N

Compound name

2-hexoxyacetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 144.11504 Da
Monoisotopic Mass: 1.9
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]+	145.12232	132.1
[M+Na]+	167.10426	142.5
[M+NH4]+	162.14886	139.8
[M+K]+	183.07820	136.0
[M-H]-	143.10776	131.5
[M+Na-2H]-	165.08971	135.8
[M]+	144.11449	133.2
[M]-	144.11559	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe