CID 85999

Cyclopentanone, 2-butylidene-

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

CCCC=C1CCCC1=O

InChI

InChI=1S/C9H14O/c1-2-3-5-8-6-4-7-9(8)10/h5H,2-4,6-7H2,1H3

InChIKey

PJDOECJDCGNWBG-UHFFFAOYSA-N

Compound name

2-butylidenecyclopentan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 23
Patents: 138.10446 Da
Monoisotopic Mass: 2.2
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]+	139.111736	130.8
[M+Na]+	161.093678	137.6
[M-H]-	137.097184	133.9
[M+NH4]+	156.138283	154.4
[M+K]+	177.067618	135.7
[M+H-H2O]+	121.101720	125.9
[M+HCOO]-	183.102661	153.7
[M+CH3COO]-	197.118311	172.9
[M+Na-2H]-	159.079126	134.1
[M]+	138.10391142	128.8
[M]-	138.10500858	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe