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

3
Patents

234.16199 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.169266 153.7
[M+Na]+ 257.151208 160.2
[M-H]- 233.154714 159.4
[M+NH4]+ 252.195813 171.1
[M+K]+ 273.125148 161.2
[M+H-H2O]+ 217.159250 147.7
[M+HCOO]- 279.160191 167.6
[M+CH3COO]- 293.175841 201.8
[M+Na-2H]- 255.136656 157.1
[M]+ 234.16144142 159.2
[M]- 234.16253858 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

patents stripe