CID 11149005

113944-48-2

Structural Information

Molecular Formula
C13H14O4
SMILES
CC(=O)OC/C=C/C1=CC=C(C=C1)OC(=O)C
InChI
InChI=1S/C13H14O4/c1-10(14)16-9-3-4-12-5-7-13(8-6-12)17-11(2)15/h3-8H,9H2,1-2H3/b4-3+
InChIKey
JAFORXKRQBIDEE-ONEGZZNKSA-N
Compound name
[(E)-3-(4-acetyloxyphenyl)prop-2-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

27
Patents

234.0892 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09648 151.0
[M+Na]+ 257.07842 158.1
[M-H]- 233.08192 154.6
[M+NH4]+ 252.12302 168.9
[M+K]+ 273.05236 156.6
[M+H-H2O]+ 217.08646 144.7
[M+HCOO]- 279.08740 173.9
[M+CH3COO]- 293.10305 189.7
[M+Na-2H]- 255.06387 154.1
[M]+ 234.08865 155.0
[M]- 234.08975 155.0
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.