CID 10953743

8-methylidene-1,4-dioxaspiro[4.5]decane

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

C=C1CCC2(CC1)OCCO2

InChI

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

InChIKey

BCWKBPCNPHCCQS-UHFFFAOYSA-N

Compound name

8-methylidene-1,4-dioxaspiro[4.5]decane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 345
Patents: 154.09938 Da
Monoisotopic Mass: 1.2
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]+	155.10666	131.9
[M+Na]+	177.08860	137.5
[M-H]-	153.09210	138.0
[M+NH4]+	172.13320	154.0
[M+K]+	193.06254	138.3
[M+H-H2O]+	137.09664	127.3
[M+HCOO]-	199.09758	150.2
[M+CH3COO]-	213.11323	171.9
[M+Na-2H]-	175.07405	138.6
[M]+	154.09883	127.2
[M]-	154.09993	127.2

Literature stripe

literature stripe

Patent stripe

patents stripe