CID 12634575

1-acetyl-4-isopropenylcyclopentene

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CC(=C)C1CC=C(C1)C(=O)C

InChI

InChI=1S/C10H14O/c1-7(2)9-4-5-10(6-9)8(3)11/h5,9H,1,4,6H2,2-3H3

InChIKey

BTXSVMBTNJSALB-UHFFFAOYSA-N

Compound name

1-(4-prop-1-en-2-ylcyclopenten-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 150.10446 Da
Monoisotopic Mass: 2.3
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]+	151.11174	134.9
[M+Na]+	173.09368	145.0
[M+NH4]+	168.13828	143.2
[M+K]+	189.06762	141.2
[M-H]-	149.09718	135.8
[M+Na-2H]-	171.07913	138.9
[M]+	150.10391	136.3
[M]-	150.10501	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe