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

26
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

literature stripe

Patent stripe

patents stripe