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

2879
Patents

224.17763 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.18491 148.4
[M+Na]+ 247.16685 155.6
[M-H]- 223.17035 152.1
[M+NH4]+ 242.21145 171.3
[M+K]+ 263.14079 154.3
[M+H-H2O]+ 207.17489 145.1
[M+HCOO]- 269.17583 166.9
[M+CH3COO]- 283.19148 193.5
[M+Na-2H]- 245.15230 150.8
[M]+ 224.17708 148.7
[M]- 224.17818 148.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe