CID 10860695

159235-16-2

Structural Information

Molecular Formula
C20H18O5
SMILES
CC(=C)C(=O)OC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCC=C
InChI
InChI=1S/C20H18O5/c1-4-13-23-16-7-5-15(6-8-16)20(22)25-18-11-9-17(10-12-18)24-19(21)14(2)3/h4-12H,1-2,13H2,3H3
InChIKey
VRISIUMRBYLVHV-UHFFFAOYSA-N
Compound name
[4-(2-methylprop-2-enoyloxy)phenyl] 4-prop-2-enoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

338.11542 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12270 177.9
[M+Na]+ 361.10464 183.7
[M-H]- 337.10814 184.3
[M+NH4]+ 356.14924 190.8
[M+K]+ 377.07858 180.8
[M+H-H2O]+ 321.11268 169.5
[M+HCOO]- 383.11362 199.1
[M+CH3COO]- 397.12927 210.6
[M+Na-2H]- 359.09009 178.0
[M]+ 338.11487 182.2
[M]- 338.11597 182.2
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