CID 98095

105-24-8

Structural Information

Molecular Formula

C₈H₁₂O

SMILES

CC(=O)CC1CCC=C1

InChI

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

InChIKey

LHAJIBPLECWWQP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 124.08881 Da
Monoisotopic Mass: 1.4
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	126.5
[M+Na]+	147.07803	133.3
[M-H]-	123.08153	129.9
[M+NH4]+	142.12263	150.4
[M+K]+	163.05197	132.5
[M+H-H2O]+	107.08607	121.6
[M+HCOO]-	169.08701	150.1
[M+CH3COO]-	183.10266	170.8
[M+Na-2H]-	145.06348	130.7
[M]+	124.08826	125.4
[M]-	124.08936	125.4

Literature stripe

literature stripe

Patent stripe

patents stripe