CID 22089465

4-propylphenyl 4-butylbenzoate

Structural Information

Molecular Formula
C20H24O2
SMILES
CCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCC
InChI
InChI=1S/C20H24O2/c1-3-5-7-17-8-12-18(13-9-17)20(21)22-19-14-10-16(6-4-2)11-15-19/h8-15H,3-7H2,1-2H3
InChIKey
BXAPORAWUJSSPO-UHFFFAOYSA-N
Compound name
(4-propylphenyl) 4-butylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

296.17764 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.184916 173.0
[M+Na]+ 319.166858 178.8
[M-H]- 295.170364 179.1
[M+NH4]+ 314.211463 188.3
[M+K]+ 335.140798 174.6
[M+H-H2O]+ 279.174900 164.7
[M+HCOO]- 341.175841 195.0
[M+CH3COO]- 355.191491 205.7
[M+Na-2H]- 317.152306 175.1
[M]+ 296.17709142 176.4
[M]- 296.17818858 176.4
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