CID 111383

2-cyclohexen-1-one, triethyltrimethyl-

Structural Information

Molecular Formula
C15H26O
SMILES
CCC1=C(C(=O)CC(C1(CC)CC)(C)C)C
InChI
InChI=1S/C15H26O/c1-7-12-11(4)13(16)10-14(5,6)15(12,8-2)9-3/h7-10H2,1-6H3
InChIKey
BUWKKTZEUORNQO-UHFFFAOYSA-N
Compound name
3,4,4-triethyl-2,5,5-trimethylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 147.5
[M+Na]+ 245.187578 156.3
[M-H]- 221.191084 151.7
[M+NH4]+ 240.232183 171.2
[M+K]+ 261.161518 154.1
[M+H-H2O]+ 205.195620 144.1
[M+HCOO]- 267.196561 167.8
[M+CH3COO]- 281.212211 195.3
[M+Na-2H]- 243.173026 151.0
[M]+ 222.19781142 149.9
[M]- 222.19890858 149.9
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.