CID 72978332

8,8-dimethyl-2-methylene-6-oxabicyclo[3.2.1]octan-7-one

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC1(C2CCC(=C)C1C(=O)O2)C

InChI

InChI=1S/C10H14O2/c1-6-4-5-7-10(2,3)8(6)9(11)12-7/h7-8H,1,4-5H2,2-3H3

InChIKey

LASOZNWHPDFLML-UHFFFAOYSA-N

Compound name

8,8-dimethyl-2-methylidene-6-oxabicyclo[3.2.1]octan-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.09938 Da
Monoisotopic Mass: 1.9
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]+	167.106656	132.8
[M+Na]+	189.088598	141.8
[M-H]-	165.092104	136.7
[M+NH4]+	184.133203	158.1
[M+K]+	205.062538	140.5
[M+H-H2O]+	149.096640	129.6
[M+HCOO]-	211.097581	151.5
[M+CH3COO]-	225.113231	179.7
[M+Na-2H]-	187.074046	138.6
[M]+	166.09883142	132.3
[M]-	166.09992858	132.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.