CID 44145868

85392-44-5

Structural Information

Molecular Formula
C15H24O2
SMILES
CC(=O)CCC(=O)CC1C2CCC(C2)C1(C)C
InChI
InChI=1S/C15H24O2/c1-10(16)4-7-13(17)9-14-11-5-6-12(8-11)15(14,2)3/h11-12,14H,4-9H2,1-3H3
InChIKey
KTFQCEQXARNYFB-UHFFFAOYSA-N
Compound name
1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)hexane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 161.2
[M+Na]+ 259.166848 167.2
[M-H]- 235.170354 163.5
[M+NH4]+ 254.211453 186.1
[M+K]+ 275.140788 164.5
[M+H-H2O]+ 219.174890 157.6
[M+HCOO]- 281.175831 179.0
[M+CH3COO]- 295.191481 195.3
[M+Na-2H]- 257.152296 160.0
[M]+ 236.17708142 162.2
[M]- 236.17817858 162.2
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.