CID 53621926

3-cyclopropylcyclohexan-1-one

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

C1CC(CC(=O)C1)C2CC2

InChI

InChI=1S/C9H14O/c10-9-3-1-2-8(6-9)7-4-5-7/h7-8H,1-6H2

InChIKey

GJQMLFXHNWCZLS-UHFFFAOYSA-N

Compound name

3-cyclopropylcyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 138.10446 Da
Monoisotopic Mass: 2.0
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	130.7
[M+Na]+	161.09368	143.5
[M+NH4]+	156.13828	140.9
[M+K]+	177.06762	138.3
[M-H]-	137.09718	141.1
[M+Na-2H]-	159.07913	139.7
[M]+	138.10391	136.5
[M]-	138.10501	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.