CID 69707

702-75-0

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CC1(COC2(CCCC2)OC1)C

InChI

InChI=1S/C10H18O2/c1-9(2)7-11-10(12-8-9)5-3-4-6-10/h3-8H2,1-2H3

InChIKey

JOXSTTXXTNBJRU-UHFFFAOYSA-N

Compound name

8,8-dimethyl-6,10-dioxaspiro[4.5]decane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9
Patents: 170.13068 Da
Monoisotopic Mass: 2.1
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]+	171.13796	136.4
[M+Na]+	193.11990	142.2
[M-H]-	169.12340	142.7
[M+NH4]+	188.16450	159.9
[M+K]+	209.09384	143.6
[M+H-H2O]+	153.12794	132.2
[M+HCOO]-	215.12888	154.1
[M+CH3COO]-	229.14453	175.6
[M+Na-2H]-	191.10535	143.7
[M]+	170.13013	133.1
[M]-	170.13123	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe