CID 142482

4-propylcyclohexanone

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

CCCC1CCC(=O)CC1

InChI

InChI=1S/C9H16O/c1-2-3-8-4-6-9(10)7-5-8/h8H,2-7H2,1H3

InChIKey

NQEDLIZOPMNZMC-UHFFFAOYSA-N

Compound name

4-propylcyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 1050
Patents: 140.12012 Da
Monoisotopic Mass: 2.5
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]+	141.12740	131.5
[M+Na]+	163.10934	142.7
[M+NH4]+	158.15394	140.8
[M+K]+	179.08328	135.8
[M-H]-	139.11284	133.8
[M+Na-2H]-	161.09479	136.8
[M]+	140.11957	133.6
[M]-	140.12067	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe