CID 242544

Ethyl alpha-cyano-4-(dimethylamino)cinnamate

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CCOC(=O)C(=CC1=CC=C(C=C1)N(C)C)C#N
InChI
InChI=1S/C14H16N2O2/c1-4-18-14(17)12(10-15)9-11-5-7-13(8-6-11)16(2)3/h5-9H,4H2,1-3H3
InChIKey
UWWFWHASAAPOLK-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

28
Patents

244.12119 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 159.7
[M+Na]+ 267.11041 167.4
[M-H]- 243.11391 163.7
[M+NH4]+ 262.15501 175.5
[M+K]+ 283.08435 165.3
[M+H-H2O]+ 227.11845 146.2
[M+HCOO]- 289.11939 179.3
[M+CH3COO]- 303.13504 210.1
[M+Na-2H]- 265.09586 161.2
[M]+ 244.12064 156.8
[M]- 244.12174 156.8
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