CID 86584457

9-decenal diethyl acetal

Structural Information

Molecular Formula

C₁₄H₂₈O₂

SMILES

CCOC(CCCCCCCC=C)OCC

InChI

InChI=1S/C14H28O2/c1-4-7-8-9-10-11-12-13-14(15-5-2)16-6-3/h4,14H,1,5-13H2,2-3H3

InChIKey

RKCRPNMNQJZLMF-UHFFFAOYSA-N

Compound name

10,10-diethoxydec-1-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 14
Patents: 228.20892 Da
Monoisotopic Mass: 4.8
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]+	229.21620	160.7
[M+Na]+	251.19814	164.7
[M-H]-	227.20164	159.6
[M+NH4]+	246.24274	179.0
[M+K]+	267.17208	163.2
[M+H-H2O]+	211.20618	154.7
[M+HCOO]-	273.20712	181.6
[M+CH3COO]-	287.22277	195.2
[M+Na-2H]-	249.18359	162.3
[M]+	228.20837	166.7
[M]-	228.20947	166.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe