CID 4464271

Metoxibutropate

Structural Information

Molecular Formula
C20H24O3
SMILES
CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC2=CC=CC=C2OC
InChI
InChI=1S/C20H24O3/c1-14(2)13-16-9-11-17(12-10-16)15(3)20(21)23-19-8-6-5-7-18(19)22-4/h5-12,14-15H,13H2,1-4H3
InChIKey
FVRWRGBTEHAPDI-UHFFFAOYSA-N
Compound name
(2-methoxyphenyl) 2-[4-(2-methylpropyl)phenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

175
Patents

312.17255 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.179826 175.9
[M+Na]+ 335.161768 181.1
[M-H]- 311.165274 182.2
[M+NH4]+ 330.206373 190.3
[M+K]+ 351.135708 178.6
[M+H-H2O]+ 295.169810 167.7
[M+HCOO]- 357.170751 196.1
[M+CH3COO]- 371.186401 209.4
[M+Na-2H]- 333.147216 175.7
[M]+ 312.17200142 179.5
[M]- 312.17309858 179.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe