CID 68183495

Schembl11973867

Structural Information

Molecular Formula
C14H22O
SMILES
CCC1(CCC=C(C1)C(=O)CCC=C)C
InChI
InChI=1S/C14H22O/c1-4-6-9-13(15)12-8-7-10-14(3,5-2)11-12/h4,8H,1,5-7,9-11H2,2-3H3
InChIKey
WUAPJQYLVHJBCV-UHFFFAOYSA-N
Compound name
1-(5-ethyl-5-methylcyclohexen-1-yl)pent-4-en-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

94
Patents

206.16707 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 149.3
[M+Na]+ 229.15629 154.7
[M-H]- 205.15979 152.1
[M+NH4]+ 224.20089 170.3
[M+K]+ 245.13023 152.1
[M+H-H2O]+ 189.16433 144.2
[M+HCOO]- 251.16527 168.9
[M+CH3COO]- 265.18092 189.0
[M+Na-2H]- 227.14174 152.2
[M]+ 206.16652 148.2
[M]- 206.16762 148.2
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.