CID 110982

7391-48-2

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

CCC(=O)C1CCCC1=O

InChI

InChI=1S/C8H12O2/c1-2-7(9)6-4-3-5-8(6)10/h6H,2-5H2,1H3

InChIKey

LYGKNTGKONXCRZ-UHFFFAOYSA-N

Compound name

2-propanoylcyclopentan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 31
Patents: 140.08372 Da
Monoisotopic Mass: 0.8
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]+	141.09100	130.7
[M+Na]+	163.07294	140.2
[M+NH4]+	158.11754	138.8
[M+K]+	179.04688	136.8
[M-H]-	139.07644	131.2
[M+Na-2H]-	161.05839	134.2
[M]+	140.08317	131.8
[M]-	140.08427	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe