CID 79705

4-(4-ethylcyclohexyl)-4-methylpentan-2-one

Structural Information

Molecular Formula
C14H26O
SMILES
CCC1CCC(CC1)C(C)(C)CC(=O)C
InChI
InChI=1S/C14H26O/c1-5-12-6-8-13(9-7-12)14(3,4)10-11(2)15/h12-13H,5-10H2,1-4H3
InChIKey
NUUIYEWNUZLOKL-UHFFFAOYSA-N
Compound name
4-(4-ethylcyclohexyl)-4-methylpentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.19836 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.205636 152.8
[M+Na]+ 233.187578 156.4
[M-H]- 209.191084 155.2
[M+NH4]+ 228.232183 171.8
[M+K]+ 249.161518 154.9
[M+H-H2O]+ 193.195620 147.5
[M+HCOO]- 255.196561 169.2
[M+CH3COO]- 269.212211 191.1
[M+Na-2H]- 231.173026 154.3
[M]+ 210.19781142 150.3
[M]- 210.19890858 150.3
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

No patent data available for this compound.