CID 11105575

6,6-dimethyl-1-methylene-4,8-dioxaspiro[2.5]octane

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

CC1(COC2(CC2=C)OC1)C

InChI

InChI=1S/C9H14O2/c1-7-4-9(7)10-5-8(2,3)6-11-9/h1,4-6H2,2-3H3

InChIKey

UOLAJAULFPZUNA-UHFFFAOYSA-N

Compound name

6,6-dimethyl-2-methylidene-4,8-dioxaspiro[2.5]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 154.09938 Da
Monoisotopic Mass: 1.1
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]+	155.106656	132.9
[M+Na]+	177.088598	142.7
[M-H]-	153.092104	141.4
[M+NH4]+	172.133203	151.0
[M+K]+	193.062538	145.1
[M+H-H2O]+	137.096640	128.6
[M+HCOO]-	199.097581	151.1
[M+CH3COO]-	213.113231	178.6
[M+Na-2H]-	175.074046	142.5
[M]+	154.09883142	135.3
[M]-	154.09992858	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe