CID 11126487

Cyclohexanone, 2-ethyl-4,4-dimethyl-

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CCC1CC(CCC1=O)(C)C

InChI

InChI=1S/C10H18O/c1-4-8-7-10(2,3)6-5-9(8)11/h8H,4-7H2,1-3H3

InChIKey

JKOKKFRQRVUNGU-UHFFFAOYSA-N

Compound name

2-ethyl-4,4-dimethylcyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 158
Patents: 154.13577 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]+	155.14305	133.1
[M+Na]+	177.12499	140.1
[M-H]-	153.12849	136.7
[M+NH4]+	172.16959	156.7
[M+K]+	193.09893	139.0
[M+H-H2O]+	137.13303	129.0
[M+HCOO]-	199.13397	153.5
[M+CH3COO]-	213.14962	178.4
[M+Na-2H]-	175.11044	137.8
[M]+	154.13522	130.9
[M]-	154.13632	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe