CID 16205253

71648-36-7

Structural Information

Molecular Formula
C18H24O2
SMILES
CC1=CCC(CC1)C(C)(C)OC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C18H24O2/c1-14-9-11-16(12-10-14)18(2,3)20-17(19)13-15-7-5-4-6-8-15/h4-9,16H,10-13H2,1-3H3
InChIKey
DIRWDZLUWISLGU-UHFFFAOYSA-N
Compound name
2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.17764 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.184916 166.0
[M+Na]+ 295.166858 170.2
[M-H]- 271.170364 171.7
[M+NH4]+ 290.211463 182.0
[M+K]+ 311.140798 167.3
[M+H-H2O]+ 255.174900 158.7
[M+HCOO]- 317.175841 184.3
[M+CH3COO]- 331.191491 199.6
[M+Na-2H]- 293.152306 168.8
[M]+ 272.17709142 165.1
[M]- 272.17818858 165.1
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.