CID 15613616

2-ethyl-7-methyl-1,6-dioxaspiro[4.5]decane

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CCC1CCC2(O1)CCCC(O2)C

InChI

InChI=1S/C11H20O2/c1-3-10-6-8-11(13-10)7-4-5-9(2)12-11/h9-10H,3-8H2,1-2H3

InChIKey

QPZCAIDDTOIXQQ-UHFFFAOYSA-N

Compound name

2-ethyl-9-methyl-1,10-dioxaspiro[4.5]decane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 184.14633 Da
Monoisotopic Mass: 2.6
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]+	185.15361	141.8
[M+Na]+	207.13555	147.2
[M-H]-	183.13905	147.9
[M+NH4]+	202.18015	163.1
[M+K]+	223.10949	148.0
[M+H-H2O]+	167.14359	137.0
[M+HCOO]-	229.14453	159.2
[M+CH3COO]-	243.16018	179.9
[M+Na-2H]-	205.12100	146.8
[M]+	184.14578	138.9
[M]-	184.14688	138.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.