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

16
Patents

220.10994 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.117216 149.3
[M+Na]+ 243.099158 156.4
[M-H]- 219.102664 152.8
[M+NH4]+ 238.143763 168.0
[M+K]+ 259.073098 154.4
[M+H-H2O]+ 203.107200 143.0
[M+HCOO]- 265.108141 172.8
[M+CH3COO]- 279.123791 188.3
[M+Na-2H]- 241.084606 153.5
[M]+ 220.10939142 153.3
[M]- 220.11048858 153.3
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

patents stripe