CID 522428

8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-one

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

CC1(C2C(C1=O)CCCO2)C

InChI

InChI=1S/C9H14O2/c1-9(2)7(10)6-4-3-5-11-8(6)9/h6,8H,3-5H2,1-2H3

InChIKey

KLTAJTHKXFNMDQ-UHFFFAOYSA-N

Compound name

8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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]+	155.10666	131.0
[M+Na]+	177.08860	138.1
[M+NH4]+	172.13320	137.7
[M+K]+	193.06254	132.8
[M-H]-	153.09210	131.3
[M+Na-2H]-	175.07405	133.6
[M]+	154.09883	131.0
[M]-	154.09993	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe