CID 5847642

331462-15-8

Structural Information

Molecular Formula
C20H20O4
SMILES
CCCCOC(=O)C1=CC=C(C=C1)OC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C20H20O4/c1-2-3-15-23-20(22)17-10-12-18(13-11-17)24-19(21)14-9-16-7-5-4-6-8-16/h4-14H,2-3,15H2,1H3/b14-9+
InChIKey
VVTIKXPLPUIJRJ-NTEUORMPSA-N
Compound name
butyl 4-[(E)-3-phenylprop-2-enoyl]oxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.13617 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.143446 177.9
[M+Na]+ 347.125388 182.9
[M-H]- 323.128894 183.7
[M+NH4]+ 342.169993 191.4
[M+K]+ 363.099328 179.2
[M+H-H2O]+ 307.133430 169.1
[M+HCOO]- 369.134371 199.6
[M+CH3COO]- 383.150021 206.5
[M+Na-2H]- 345.110836 179.5
[M]+ 324.13562142 181.5
[M]- 324.13671858 181.5
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.