CID 61942

Piperitenone oxide

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC(=C1CCC2(C(C1=O)O2)C)C

InChI

InChI=1S/C10H14O2/c1-6(2)7-4-5-10(3)9(12-10)8(7)11/h9H,4-5H2,1-3H3

InChIKey

AKASWINDKIEEBO-UHFFFAOYSA-N

Compound name

6-methyl-3-propan-2-ylidene-7-oxabicyclo[4.1.0]heptan-2-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 13
References: 121
Patents: 166.09938 Da
Monoisotopic Mass: 1.8
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]+	167.10666	137.1
[M+Na]+	189.08860	150.0
[M+NH4]+	184.13320	147.8
[M+K]+	205.06254	144.3
[M-H]-	165.09210	146.8
[M+Na-2H]-	187.07405	144.3
[M]+	166.09883	143.0
[M]-	166.09993	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe