CID 146155620

2416228-79-8

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

CC(=O)C1(CC=CC1)COC

InChI

InChI=1S/C9H14O2/c1-8(10)9(7-11-2)5-3-4-6-9/h3-4H,5-7H2,1-2H3

InChIKey

HXELSUFVGHNUCS-UHFFFAOYSA-N

Compound name

1-[1-(methoxymethyl)cyclopent-3-en-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 154.09938 Da
Monoisotopic Mass: 0.7
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	134.5
[M+Na]+	177.08860	144.4
[M+NH4]+	172.13320	144.3
[M+K]+	193.06254	138.8
[M-H]-	153.09210	135.3
[M+Na-2H]-	175.07405	140.5
[M]+	154.09883	136.1
[M]-	154.09993	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.