CID 6366013

Ethyl 3-(2-(1-oxopropoxy)phenyl)acrylate

Structural Information

Molecular Formula
C14H16O4
SMILES
CCC(=O)OC1=CC=CC=C1/C=C/C(=O)OCC
InChI
InChI=1S/C14H16O4/c1-3-13(15)18-12-8-6-5-7-11(12)9-10-14(16)17-4-2/h5-10H,3-4H2,1-2H3/b10-9+
InChIKey
PRRONMLGRGYZHU-MDZDMXLPSA-N
Compound name
ethyl (E)-3-(2-propanoyloxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.10486 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.112136 155.8
[M+Na]+ 271.094078 162.4
[M-H]- 247.097584 159.1
[M+NH4]+ 266.138683 173.1
[M+K]+ 287.068018 160.6
[M+H-H2O]+ 231.102120 149.2
[M+HCOO]- 293.103061 178.3
[M+CH3COO]- 307.118711 192.7
[M+Na-2H]- 269.079526 158.3
[M]+ 248.10431142 160.1
[M]- 248.10540858 160.1
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.