CID 97842

2-methyl-1,5-dioxaspiro[5.5]undecane

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CC1CCOC2(O1)CCCCC2

InChI

InChI=1S/C10H18O2/c1-9-5-8-11-10(12-9)6-3-2-4-7-10/h9H,2-8H2,1H3

InChIKey

AUXQNFDMCKINEC-UHFFFAOYSA-N

Compound name

4-methyl-1,5-dioxaspiro[5.5]undecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 134
Patents: 170.13068 Da
Monoisotopic Mass: 2.2
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]+	171.13796	139.1
[M+Na]+	193.11990	150.3
[M+NH4]+	188.16450	150.3
[M+K]+	209.09384	142.5
[M-H]-	169.12340	145.4
[M+Na-2H]-	191.10535	145.4
[M]+	170.13013	142.6
[M]-	170.13123	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe