CID 10131842

4491-03-6

Structural Information

Molecular Formula
C21H20O4
SMILES
CC(C)(C1=CC=C(C=C1)OC(=O)C=C)C2=CC=C(C=C2)OC(=O)C=C
InChI
InChI=1S/C21H20O4/c1-5-19(22)24-17-11-7-15(8-12-17)21(3,4)16-9-13-18(14-10-16)25-20(23)6-2/h5-14H,1-2H2,3-4H3
InChIKey
FHLPGTXWCFQMIU-UHFFFAOYSA-N
Compound name
[4-[2-(4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26733
Patents

336.13617 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.14345 178.8
[M+Na]+ 359.12539 185.0
[M-H]- 335.12889 185.2
[M+NH4]+ 354.16999 192.1
[M+K]+ 375.09933 181.2
[M+H-H2O]+ 319.13343 170.9
[M+HCOO]- 381.13437 198.8
[M+CH3COO]- 395.15002 210.9
[M+Na-2H]- 357.11084 180.4
[M]+ 336.13562 182.2
[M]- 336.13672 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

literature stripe

Patent stripe

patents stripe