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: 47
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]+	201.184906	150.8
[M+Na]+	223.166848	155.8
[M-H]-	199.170354	150.0
[M+NH4]+	218.211453	170.2
[M+K]+	239.140788	154.4
[M+H-H2O]+	183.174890	145.1
[M+HCOO]-	245.175831	173.3
[M+CH3COO]-	259.191481	188.5
[M+Na-2H]-	221.152296	154.7
[M]+	200.17708142	156.6
[M]-	200.17817858	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe