CID 107026

Ethanone, 1-(octahydro-2,5,5-trimethyl-2h-2,4a-ethanonaphthalen-8-yl)-

Structural Information

Molecular Formula
C17H28O
SMILES
CC(=O)C1CCC(C23C1CC(CC2)(CC3)C)(C)C
InChI
InChI=1S/C17H28O/c1-12(18)13-5-6-15(2,3)17-9-7-16(4,8-10-17)11-14(13)17/h13-14H,5-11H2,1-4H3
InChIKey
RVDZMZCRDXUENU-UHFFFAOYSA-N
Compound name
1-(2,2,8-trimethyl-5-tricyclo[6.2.2.01,6]dodecanyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

248.21402 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.221296 162.8
[M+Na]+ 271.203238 166.5
[M-H]- 247.206744 161.3
[M+NH4]+ 266.247843 190.0
[M+K]+ 287.177178 162.5
[M+H-H2O]+ 231.211280 155.9
[M+HCOO]- 293.212221 168.8
[M+CH3COO]- 307.227871 171.6
[M+Na-2H]- 269.188686 169.7
[M]+ 248.21347142 160.7
[M]- 248.21456858 160.7
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

patents stripe