CID 107026

67989-98-4

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]+ 249.22130 163.6
[M+Na]+ 271.20324 172.9
[M+NH4]+ 266.24784 178.9
[M+K]+ 287.17718 159.5
[M-H]- 247.20674 163.7
[M+Na-2H]- 269.18869 165.0
[M]+ 248.21347 165.4
[M]- 248.21457 165.4
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