CID 101618840

Tricyclo[5.4.0.02,8]undecane-4,10-dione, 3,3,7,9-tetramethyl-, stereoisomer

Structural Information

Molecular Formula
C15H22O2
SMILES
CC1C2C3C(C2(CCC(=O)C3(C)C)C)CC1=O
InChI
InChI=1S/C15H22O2/c1-8-10(16)7-9-13-12(8)15(9,4)6-5-11(17)14(13,2)3/h8-9,12-13H,5-7H2,1-4H3
InChIKey
PZYLIQGFDJFRCZ-UHFFFAOYSA-N
Compound name
3,3,7,9-tetramethyltricyclo[5.4.0.02,8]undecane-4,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.16199 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 153.7
[M+Na]+ 257.15121 160.2
[M-H]- 233.15471 159.4
[M+NH4]+ 252.19581 171.1
[M+K]+ 273.12515 161.2
[M+H-H2O]+ 217.15925 147.7
[M+HCOO]- 279.16019 167.6
[M+CH3COO]- 293.17584 201.8
[M+Na-2H]- 255.13666 157.1
[M]+ 234.16144 159.2
[M]- 234.16254 159.2
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

No patent data available for this compound.