CID 106819

Dtxsid60867338

Structural Information

Molecular Formula
C14H22O
SMILES
CC1CC(=CC(C1C=C(C)C(=O)C)C)C
InChI
InChI=1S/C14H22O/c1-9-6-11(3)14(12(4)7-9)8-10(2)13(5)15/h6,8,11-12,14H,7H2,1-5H3
InChIKey
PBKBMLILZYXPBO-UHFFFAOYSA-N
Compound name
3-methyl-4-(2,4,6-trimethylcyclohex-3-en-1-yl)but-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

113
Patents

206.16707 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 150.5
[M+Na]+ 229.15629 161.8
[M+NH4]+ 224.20089 158.5
[M+K]+ 245.13023 155.4
[M-H]- 205.15979 152.2
[M+Na-2H]- 227.14174 154.2
[M]+ 206.16652 152.5
[M]- 206.16762 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe