CID 166341

(decyloxy)acetaldehyde

Structural Information

Molecular Formula

C₁₂H₂₄O₂

SMILES

CCCCCCCCCCOCC=O

InChI

InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-11-14-12-10-13/h10H,2-9,11-12H2,1H3

InChIKey

SWBGVIRRFYDZBQ-UHFFFAOYSA-N

Compound name

2-decoxyacetaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 42
Patents: 200.17763 Da
Monoisotopic Mass: 4.1
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]+	201.18491	149.9
[M+Na]+	223.16685	159.4
[M+NH4]+	218.21145	156.9
[M+K]+	239.14079	151.9
[M-H]-	199.17035	149.0
[M+Na-2H]-	221.15230	152.5
[M]+	200.17708	150.7
[M]-	200.17818	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe