CID 79488

4-isopropylcyclohexanone

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

CC(C)C1CCC(=O)CC1

InChI

InChI=1S/C9H16O/c1-7(2)8-3-5-9(10)6-4-8/h7-8H,3-6H2,1-2H3

InChIKey

FPKISACHVIIMRA-UHFFFAOYSA-N

Compound name

4-propan-2-ylcyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 752
Patents: 140.12012 Da
Monoisotopic Mass: 2.2
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	131.6
[M+Na]+	163.10934	142.5
[M+NH4]+	158.15394	140.8
[M+K]+	179.08328	136.4
[M-H]-	139.11284	133.7
[M+Na-2H]-	161.09479	136.6
[M]+	140.11957	133.6
[M]-	140.12067	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe