CID 11159326

87514-66-7

Structural Information

Molecular Formula

C₈H₁₂O

SMILES

CC(=O)CC1CC=CC1

InChI

InChI=1S/C8H12O/c1-7(9)6-8-4-2-3-5-8/h2-3,8H,4-6H2,1H3

InChIKey

JRONMXYZUYUUJB-UHFFFAOYSA-N

Compound name

1-cyclopent-3-en-1-ylpropan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 124.08881 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]+	125.09609	127.0
[M+Na]+	147.07803	137.5
[M+NH4]+	142.12263	136.1
[M+K]+	163.05197	133.3
[M-H]-	123.08153	128.4
[M+Na-2H]-	145.06348	132.3
[M]+	124.08826	128.7
[M]-	124.08936	128.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.