CID 118292

Kephalis

Structural Information

Molecular Formula

C₁₄H₂₄O₂

SMILES

CCOC(=C)C1C(CC(=O)CC1(C)C)(C)C

InChI

InChI=1S/C14H24O2/c1-7-16-10(2)12-13(3,4)8-11(15)9-14(12,5)6/h12H,2,7-9H2,1,3-6H3

InChIKey

YLNYLLVKHRZLGO-UHFFFAOYSA-N

Compound name

4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 2955
Patents: 224.17763 Da
Monoisotopic Mass: 3.1
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]+	225.184906	148.4
[M+Na]+	247.166848	155.6
[M-H]-	223.170354	152.1
[M+NH4]+	242.211453	171.3
[M+K]+	263.140788	154.3
[M+H-H2O]+	207.174890	145.1
[M+HCOO]-	269.175831	166.9
[M+CH3COO]-	283.191481	193.5
[M+Na-2H]-	245.152296	150.8
[M]+	224.17708142	148.7
[M]-	224.17817858	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe