CID 380815

2,2-dibenzyl-5,5-dimethyl-1,3-cyclohexanedione

Structural Information

Molecular Formula
C22H24O2
SMILES
CC1(CC(=O)C(C(=O)C1)(CC2=CC=CC=C2)CC3=CC=CC=C3)C
InChI
InChI=1S/C22H24O2/c1-21(2)15-19(23)22(20(24)16-21,13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3
InChIKey
DVWZHXSDVGYQCA-UHFFFAOYSA-N
Compound name
2,2-dibenzyl-5,5-dimethylcyclohexane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.17764 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.18492 177.5
[M+Na]+ 343.16686 184.3
[M-H]- 319.17036 186.9
[M+NH4]+ 338.21146 195.3
[M+K]+ 359.14080 179.2
[M+H-H2O]+ 303.17490 168.8
[M+HCOO]- 365.17584 197.1
[M+CH3COO]- 379.19149 208.0
[M+Na-2H]- 341.15231 180.6
[M]+ 320.17709 175.7
[M]- 320.17819 175.7
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.