CID 5885700

50636-22-1

Structural Information

Molecular Formula

C₁₃H₁₆O₃

SMILES

CCOC1=CC=CC=C1/C=C/C(=O)OCC

InChI

InChI=1S/C13H16O3/c1-3-15-12-8-6-5-7-11(12)9-10-13(14)16-4-2/h5-10H,3-4H2,1-2H3/b10-9+

InChIKey

WJRLRVSUBGIUGI-MDZDMXLPSA-N

Compound name

ethyl (E)-3-(2-ethoxyphenyl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 19
Patents: 220.10994 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	221.11722	149.3
[M+Na]+	243.09916	156.4
[M-H]-	219.10266	152.8
[M+NH4]+	238.14376	168.0
[M+K]+	259.07310	154.4
[M+H-H2O]+	203.10720	143.0
[M+HCOO]-	265.10814	172.8
[M+CH3COO]-	279.12379	188.3
[M+Na-2H]-	241.08461	153.5
[M]+	220.10939	153.3
[M]-	220.11049	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe