CID 13045271

3-(3-butenyl)cyclopentanone

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

C=CCCC1CCC(=O)C1

InChI

InChI=1S/C9H14O/c1-2-3-4-8-5-6-9(10)7-8/h2,8H,1,3-7H2

InChIKey

SOVGSPFMASGWMT-UHFFFAOYSA-N

Compound name

3-but-3-enylcyclopentan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 138.10446 Da
Monoisotopic Mass: 1.9
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]+	139.11174	132.0
[M+Na]+	161.09368	142.1
[M+NH4]+	156.13828	140.7
[M+K]+	177.06762	137.1
[M-H]-	137.09718	133.2
[M+Na-2H]-	159.07913	136.0
[M]+	138.10391	133.5
[M]-	138.10501	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.