CID 223017

Ethyl alpha-cyano-3,4-dimethoxycinnamate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

261.1001 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.107376 158.2
[M+Na]+ 284.089318 167.3
[M-H]- 260.092824 161.4
[M+NH4]+ 279.133923 173.4
[M+K]+ 300.063258 165.2
[M+H-H2O]+ 244.097360 145.3
[M+HCOO]- 306.098301 177.0
[M+CH3COO]- 320.113951 207.3
[M+Na-2H]- 282.074766 159.9
[M]+ 261.09955142 158.0
[M]- 261.10064858 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

patents stripe