CID 56940672

2,7-diethyl-1,6-dioxaspiro[4.5]decane

Structural Information

Molecular Formula

C₁₂H₂₂O₂

SMILES

CCC1CCCC2(O1)CCC(O2)CC

InChI

InChI=1S/C12H22O2/c1-3-10-6-5-8-12(13-10)9-7-11(4-2)14-12/h10-11H,3-9H2,1-2H3

InChIKey

IWEQWVHHNRXINS-UHFFFAOYSA-N

Compound name

2,9-diethyl-1,10-dioxaspiro[4.5]decane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 198.16199 Da
Monoisotopic Mass: 3.2
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]+	199.16927	146.4
[M+Na]+	221.15121	151.4
[M-H]-	197.15471	152.4
[M+NH4]+	216.19581	167.2
[M+K]+	237.12515	152.0
[M+H-H2O]+	181.15925	141.5
[M+HCOO]-	243.16019	163.5
[M+CH3COO]-	257.17584	182.9
[M+Na-2H]-	219.13666	150.9
[M]+	198.16144	143.9
[M]-	198.16254	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe