CID 23391230

4-methoxyphenyl 4-hexylbenzoate

Structural Information

Molecular Formula
C20H24O3
SMILES
CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OC
InChI
InChI=1S/C20H24O3/c1-3-4-5-6-7-16-8-10-17(11-9-16)20(21)23-19-14-12-18(22-2)13-15-19/h8-15H,3-7H2,1-2H3
InChIKey
WIWHDNZKRSNRJR-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl) 4-hexylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

312.17255 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.179826 176.4
[M+Na]+ 335.161768 182.1
[M-H]- 311.165274 182.4
[M+NH4]+ 330.206373 190.9
[M+K]+ 351.135708 178.4
[M+H-H2O]+ 295.169810 167.8
[M+HCOO]- 357.170751 198.5
[M+CH3COO]- 371.186401 207.7
[M+Na-2H]- 333.147216 178.5
[M]+ 312.17200142 181.1
[M]- 312.17309858 181.1
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