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 166.0
[M+Na]+ 299.16177 169.5
[M-H]- 275.16527 171.5
[M+NH4]+ 294.20637 181.7
[M+K]+ 315.13571 167.7
[M+H-H2O]+ 259.16981 158.7
[M+HCOO]- 321.17075 183.4
[M+CH3COO]- 335.18640 199.0
[M+Na-2H]- 297.14722 168.5
[M]+ 276.17200 164.7
[M]- 276.17310 164.7
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.