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]+ 223.20564 147.5
[M+Na]+ 245.18758 156.3
[M-H]- 221.19108 151.7
[M+NH4]+ 240.23218 171.2
[M+K]+ 261.16152 154.1
[M+H-H2O]+ 205.19562 144.1
[M+HCOO]- 267.19656 167.8
[M+CH3COO]- 281.21221 195.3
[M+Na-2H]- 243.17303 151.0
[M]+ 222.19781 149.9
[M]- 222.19891 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.