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]+ 325.14345 177.9
[M+Na]+ 347.12539 182.9
[M-H]- 323.12889 183.7
[M+NH4]+ 342.16999 191.4
[M+K]+ 363.09933 179.2
[M+H-H2O]+ 307.13343 169.1
[M+HCOO]- 369.13437 199.6
[M+CH3COO]- 383.15002 206.5
[M+Na-2H]- 345.11084 179.5
[M]+ 324.13562 181.5
[M]- 324.13672 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.