CID 573595

2-cyclohexen-1-one dimethylketal

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

COC1(CCCC=C1)OC

InChI

InChI=1S/C8H14O2/c1-9-8(10-2)6-4-3-5-7-8/h4,6H,3,5,7H2,1-2H3

InChIKey

OVIPECWZMIWWAS-UHFFFAOYSA-N

Compound name

3,3-dimethoxycyclohexene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 142.09938 Da
Monoisotopic Mass: 1.3
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]+	143.10666	129.9
[M+Na]+	165.08860	141.5
[M+NH4]+	160.13320	140.6
[M+K]+	181.06254	133.4
[M-H]-	141.09210	132.1
[M+Na-2H]-	163.07405	137.8
[M]+	142.09883	132.3
[M]-	142.09993	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe