CID 76419308

Ns00039041

Structural Information

Molecular Formula
C19H28O4
SMILES
CC1CCC(C(C1)OC(=O)COC2=CC=CC=C2OC)C(C)C
InChI
InChI=1S/C19H28O4/c1-13(2)15-10-9-14(3)11-18(15)23-19(20)12-22-17-8-6-5-7-16(17)21-4/h5-8,13-15,18H,9-12H2,1-4H3
InChIKey
FFAHKNVQHACZBR-UHFFFAOYSA-N
Compound name
(5-methyl-2-propan-2-ylcyclohexyl) 2-(2-methoxyphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.19876 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.206036 177.6
[M+Na]+ 343.187978 181.3
[M-H]- 319.191484 183.2
[M+NH4]+ 338.232583 191.8
[M+K]+ 359.161918 179.7
[M+H-H2O]+ 303.196020 169.7
[M+HCOO]- 365.196961 195.0
[M+CH3COO]- 379.212611 210.0
[M+Na-2H]- 341.173426 175.7
[M]+ 320.19821142 179.1
[M]- 320.19930858 179.1
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.