CID 12484923

4,4-diethyl-2-cyclohexen-1-one

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CCC1(CCC(=O)C=C1)CC

InChI

InChI=1S/C10H16O/c1-3-10(4-2)7-5-9(11)6-8-10/h5,7H,3-4,6,8H2,1-2H3

InChIKey

ZMNPBXGWZOROKH-UHFFFAOYSA-N

Compound name

4,4-diethylcyclohex-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 152.12012 Da
Monoisotopic Mass: 2.9
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]+	153.12740	132.4
[M+Na]+	175.10934	139.5
[M-H]-	151.11284	136.0
[M+NH4]+	170.15394	155.8
[M+K]+	191.08328	138.1
[M+H-H2O]+	135.11738	127.9
[M+HCOO]-	197.11832	154.2
[M+CH3COO]-	211.13397	176.9
[M+Na-2H]-	173.09479	138.7
[M]+	152.11957	131.3
[M]-	152.12067	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe