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	133.4
[M+Na]+	177.08860	140.6
[M-H]-	153.09210	136.9
[M+NH4]+	172.13320	158.1
[M+K]+	193.06254	140.1
[M+H-H2O]+	137.09664	129.0
[M+HCOO]-	199.09758	156.9
[M+CH3COO]-	213.11323	175.4
[M+Na-2H]-	175.07405	138.3
[M]+	154.09883	134.4
[M]-	154.09993	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.