CID 106918

3,3,5-trimethylcyclohexyl phenylacetate

Structural Information

Molecular Formula
C17H24O2
SMILES
CC1CC(CC(C1)(C)C)OC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C17H24O2/c1-13-9-15(12-17(2,3)11-13)19-16(18)10-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3
InChIKey
JJRRLZZVCHJDHV-UHFFFAOYSA-N
Compound name
(3,3,5-trimethylcyclohexyl) 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.17764 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.18492 163.6
[M+Na]+ 283.16686 175.9
[M+NH4]+ 278.21146 173.6
[M+K]+ 299.14080 166.5
[M-H]- 259.17036 167.8
[M+Na-2H]- 281.15231 171.7
[M]+ 260.17709 166.7
[M]- 260.17819 166.7
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

No patent data available for this compound.