CID 9949474

Schembl8747895

Structural Information

Molecular Formula
C20H28O4
SMILES
CC(C)(C(=O)O)OCC1=CC=C(C=C1)C23CCC(CC2)(CC3)OC
InChI
InChI=1S/C20H28O4/c1-18(2,17(21)22)24-14-15-4-6-16(7-5-15)19-8-11-20(23-3,12-9-19)13-10-19/h4-7H,8-14H2,1-3H3,(H,21,22)
InChIKey
LJEGXXNBNCFSRE-UHFFFAOYSA-N
Compound name
2-[[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)phenyl]methoxy]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

332.19876 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.206036 184.9
[M+Na]+ 355.187978 187.2
[M-H]- 331.191484 182.4
[M+NH4]+ 350.232583 205.6
[M+K]+ 371.161918 184.4
[M+H-H2O]+ 315.196020 178.3
[M+HCOO]- 377.196961 191.0
[M+CH3COO]- 391.212611 211.2
[M+Na-2H]- 353.173426 194.3
[M]+ 332.19821142 188.1
[M]- 332.19930858 188.1
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

patents stripe