CID 67438

7,12-dioxaspiro[5.6]dodecane

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

C1CCC2(CC1)OCCCCO2

InChI

InChI=1S/C10H18O2/c1-2-6-10(7-3-1)11-8-4-5-9-12-10/h1-9H2

InChIKey

GGKFOZUGYBUSAD-UHFFFAOYSA-N

Compound name

7,12-dioxaspiro[5.6]dodecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 83
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	133.1
[M+Na]+	193.11990	134.2
[M-H]-	169.12340	139.1
[M+NH4]+	188.16450	150.7
[M+K]+	209.09384	138.5
[M+H-H2O]+	153.12794	127.7
[M+HCOO]-	215.12888	148.0
[M+CH3COO]-	229.14453	144.2
[M+Na-2H]-	191.10535	140.7
[M]+	170.13013	123.9
[M]-	170.13123	123.9

Literature stripe

literature stripe

Patent stripe

patents stripe