CID 101618840

4,10-longipinanedione

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 149.2
[M+Na]+ 257.15121 154.3
[M+NH4]+ 252.19581 156.3
[M+K]+ 273.12515 148.3
[M-H]- 233.15471 147.8
[M+Na-2H]- 255.13666 150.8
[M]+ 234.16144 148.8
[M]- 234.16254 148.8
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.