CID 111327

Ethyl 3-(4-methoxyphenyl)but-2-enoate

Structural Information

Molecular Formula
C13H16O3
SMILES
CCOC(=O)C=C(C)C1=CC=C(C=C1)OC
InChI
InChI=1S/C13H16O3/c1-4-16-13(14)9-10(2)11-5-7-12(15-3)8-6-11/h5-9H,4H2,1-3H3
InChIKey
CFNFDUJWLXMVHH-UHFFFAOYSA-N
Compound name
ethyl 3-(4-methoxyphenyl)but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

220.10994 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.117216 149.4
[M+Na]+ 243.099158 156.2
[M-H]- 219.102664 152.9
[M+NH4]+ 238.143763 167.9
[M+K]+ 259.073098 154.7
[M+H-H2O]+ 203.107200 143.2
[M+HCOO]- 265.108141 171.8
[M+CH3COO]- 279.123791 189.2
[M+Na-2H]- 241.084606 152.4
[M]+ 220.10939142 152.7
[M]- 220.11048858 152.7
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