CID 297371

Ethyl alpha-cyano-2,5-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)7-10-8-12(17-2)5-6-13(10)18-3/h5-8H,4H2,1-3H3
InChIKey
OXWQNXNRBGZYJW-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-3-(2,5-dimethoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

261.1001 Da
Monoisotopic Mass

2.4
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

No literature data available for this compound.

Patent stripe

patents stripe