CID 2817170

Ethyl alpha-cyano-2,3-dimethoxycinnamate

Structural Information

Molecular Formula
C14H15NO4
SMILES
CCOC(=O)C(=CC1=C(C(=CC=C1)OC)OC)C#N
InChI
InChI=1S/C14H15NO4/c1-4-19-14(16)11(9-15)8-10-6-5-7-12(17-2)13(10)18-3/h5-8H,4H2,1-3H3
InChIKey
ROKZGGFXDOZPCY-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-3-(2,3-dimethoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1001 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10738 158.2
[M+Na]+ 284.08932 167.3
[M-H]- 260.09282 161.4
[M+NH4]+ 279.13392 173.4
[M+K]+ 300.06326 165.2
[M+H-H2O]+ 244.09736 145.3
[M+HCOO]- 306.09830 177.0
[M+CH3COO]- 320.11395 207.3
[M+Na-2H]- 282.07477 159.9
[M]+ 261.09955 158.0
[M]- 261.10065 158.0
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

No patent data available for this compound.