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]+ 261.18492 162.7
[M+Na]+ 283.16686 167.8
[M-H]- 259.17036 168.7
[M+NH4]+ 278.21146 181.4
[M+K]+ 299.14080 165.2
[M+H-H2O]+ 243.17490 155.8
[M+HCOO]- 305.17584 181.4
[M+CH3COO]- 319.19149 197.3
[M+Na-2H]- 281.15231 164.6
[M]+ 260.17709 161.1
[M]- 260.17819 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.