CID 106918

67859-97-6

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]+ 261.184916 162.7
[M+Na]+ 283.166858 167.8
[M-H]- 259.170364 168.7
[M+NH4]+ 278.211463 181.4
[M+K]+ 299.140798 165.2
[M+H-H2O]+ 243.174900 155.8
[M+HCOO]- 305.175841 181.4
[M+CH3COO]- 319.191491 197.3
[M+Na-2H]- 281.152306 164.6
[M]+ 260.17709142 161.1
[M]- 260.17818858 161.1
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.