CID 3063025

Mg 6886

Structural Information

Molecular Formula
C17H24O3
SMILES
CC(C)(C(=O)OC)OC1CCC(CC1)C2=CC=CC=C2
InChI
InChI=1S/C17H24O3/c1-17(2,16(18)19-3)20-15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3
InChIKey
MGPDWCWDRLUEBJ-UHFFFAOYSA-N
Compound name
methyl 2-methyl-2-(4-phenylcyclohexyl)oxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.17255 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.17983 166.1
[M+Na]+ 299.16177 177.1
[M+NH4]+ 294.20637 173.8
[M+K]+ 315.13571 171.0
[M-H]- 275.16527 169.1
[M+Na-2H]- 297.14722 172.4
[M]+ 276.17200 168.5
[M]- 276.17310 168.5
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.