CID 57023690

3-oxaspiro[5.5]undec-9-en-8-one

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

C1COCCC12CC=CC(=O)C2

InChI

InChI=1S/C10H14O2/c11-9-2-1-3-10(8-9)4-6-12-7-5-10/h1-2H,3-8H2

InChIKey

DNGPNLQKYZKJNL-UHFFFAOYSA-N

Compound name

3-oxaspiro[5.5]undec-8-en-10-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 166.09938 Da
Monoisotopic Mass: 1.0
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	136.6
[M+Na]+	189.08860	148.5
[M+NH4]+	184.13320	147.8
[M+K]+	205.06254	140.1
[M-H]-	165.09210	141.5
[M+Na-2H]-	187.07405	144.2
[M]+	166.09883	139.8
[M]-	166.09993	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe