CID 11694472

73398-84-2

Structural Information

Molecular Formula
C17H28O
SMILES
CC1CCC2C13CCC(C(C3)C2(C)C)(C)C(=O)C
InChI
InChI=1S/C17H28O/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)12(2)18/h11,13-14H,6-10H2,1-5H3
InChIKey
ZSPIIBJQRZLFHP-UHFFFAOYSA-N
Compound name
1-(2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

248.21402 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.22130 161.2
[M+Na]+ 271.20324 169.1
[M+NH4]+ 266.24784 175.0
[M+K]+ 287.17718 160.7
[M-H]- 247.20674 162.4
[M+Na-2H]- 269.18869 165.0
[M]+ 248.21347 163.0
[M]- 248.21457 163.0
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.