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 162.8
[M+Na]+ 271.20324 166.5
[M-H]- 247.20674 161.3
[M+NH4]+ 266.24784 190.0
[M+K]+ 287.17718 162.5
[M+H-H2O]+ 231.21128 155.9
[M+HCOO]- 293.21222 168.8
[M+CH3COO]- 307.22787 171.6
[M+Na-2H]- 269.18869 169.7
[M]+ 248.21347 160.7
[M]- 248.21457 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