CID 21116220

5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-one

Structural Information

Molecular Formula
C12H20O
SMILES
CCC1(C(C(C(=O)C=C1C)C)C)C
InChI
InChI=1S/C12H20O/c1-6-12(5)8(2)7-11(13)9(3)10(12)4/h7,9-10H,6H2,1-5H3
InChIKey
PZGAZDYGGFIIGE-UHFFFAOYSA-N
Compound name
4-ethyl-3,4,5,6-tetramethylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

180.15141 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.158686 137.1
[M+Na]+ 203.140628 146.2
[M-H]- 179.144134 141.5
[M+NH4]+ 198.185233 160.4
[M+K]+ 219.114568 144.5
[M+H-H2O]+ 163.148670 133.3
[M+HCOO]- 225.149611 158.3
[M+CH3COO]- 239.165261 186.5
[M+Na-2H]- 201.126076 140.7
[M]+ 180.15086142 138.0
[M]- 180.15195858 138.0
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